(Q27213018)

3-ISOBUTYL-1H-PYRAZOLE-5-CARBOXYLIC ACID (English)

11 October 2016

chemical formula

C₈H₁₂N₂O₂

1 reference

3-ISOBUTYL-1H-PYRAZOLE-5-CARBOXYLIC ACID (English)

11 October 2016

canonical SMILES

CC(C)CC1=CC(=NN1)C(=O)O

1 reference

3-ISOBUTYL-1H-PYRAZOLE-5-CARBOXYLIC ACID (English)

InChI=1S/C8H12N2O2/c1-5(2)3-6-4-7(8(11)12)10-9-6/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)

11 October 2016

Identifiers

InChI

1 reference

3-ISOBUTYL-1H-PYRAZOLE-5-CARBOXYLIC ACID (English)

OCAWPZXEVMMJMI-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

3-ISOBUTYL-1H-PYRAZOLE-5-CARBOXYLIC ACID (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

3-Isobutyl-1H-pyrazole-5-carboxylic acid (English)

11 October 2016

2 references

3-ISOBUTYL-1H-PYRAZOLE-5-CARBOXYLIC ACID (English)

matched by identifier from

11 October 2016

InChIKey

OCAWPZXEVMMJMI-UHFFFAOYSA-N

ChEBI ID

123310

mapping relation type

2 references

5-(2-methylpropyl)-1H-pyrazole-3-carboxylic acid (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C8H12N2O2/c1-5(2)3-6-4-7(8(11)12)10-9-6/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)

1 reference