3-(pyrazol-1-ylmethyl)benzoic acid

C11H10N2O2 — CID 1263648

IUPAC3-(pyrazol-1-ylmethyl)benzoic acid
SMILESO=C(O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C11H10N2O2/c14-11(15)10-4-1-3-9(7-10)8-13-6-2-5-12-13/h1-7H,8H2,(H,14,15)
InChIKeyUMYNAPRDOSIHOY-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.63
Rot. Bonds3

About 3-(pyrazol-1-ylmethyl)benzoic acid

3-(pyrazol-1-ylmethyl)benzoic acid (PubChem CID 1263648) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-(pyrazol-1-ylmethyl)benzoic acid.

Molecular Properties

Compound Name3-(pyrazol-1-ylmethyl)benzoic acid
PubChem CID1263648
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3-(pyrazol-1-ylmethyl)benzoic acid
SMILESO=C(O)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C11H10N2O2/c14-11(15)10-4-1-3-9(7-10)8-13-6-2-5-12-13/h1-7H,8H2,(H,14,15)
InChIKeyUMYNAPRDOSIHOY-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Palovarotene
CID 10295295
2-Pyrazolylbenzoic acid
CID 4738383
4-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)benzoic acid
CID 615212
4-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoic acid
CID 585564
3-((4-bromo-1H-pyrazol-1-yl)methyl)benzoic acid
CID 661034
4-(1H-pyrazol-1-yl)benzoic acid
CID 736527
4-(1H-pyrazol-1-ylmethyl)benzoic acid
CID 6484268
4-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid
CID 3239547
3-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzoic acid
CID 736757
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
CID 819613
3-(1H-pyrazol-1-yl)benzoic acid
CID 2795546
1-Cyclopentylindazole-5-carboxylic acid
CID 83414047

Frequently Asked Questions

What is the IUPAC name of 3-(pyrazol-1-ylmethyl)benzoic acid?
The IUPAC name of 3-(pyrazol-1-ylmethyl)benzoic acid (CID 1263648) is 3-(pyrazol-1-ylmethyl)benzoic acid.
What is the SMILES notation for 3-(pyrazol-1-ylmethyl)benzoic acid?
The canonical SMILES for 3-(pyrazol-1-ylmethyl)benzoic acid is O=C(O)c1cccc(Cn2cccn2)c1.
What is the InChIKey of 3-(pyrazol-1-ylmethyl)benzoic acid?
The InChIKey is UMYNAPRDOSIHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11(15)10-4-1-3-9(7-10)8-13-6-2-5-12-13/h1-7H,8H2,(H,14,15).
What are the key properties of 3-(pyrazol-1-ylmethyl)benzoic acid?
3-(pyrazol-1-ylmethyl)benzoic acid has a molecular weight of 202.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazol-1-ylmethyl)benzoic acid is sourced from PubChem (CID 1263648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).