4-(pyrazol-1-ylmethyl)benzoic acid

C11H10N2O2 — CID 6484268

IUPAC4-(pyrazol-1-ylmethyl)benzoic acid
SMILESO=C(O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C11H10N2O2/c14-11(15)10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7H,8H2,(H,14,15)
InChIKeyZHQQRHUITAFMTC-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.63
Rot. Bonds3

About 4-(pyrazol-1-ylmethyl)benzoic acid

4-(pyrazol-1-ylmethyl)benzoic acid (PubChem CID 6484268) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(pyrazol-1-ylmethyl)benzoic acid.

Molecular Properties

Compound Name4-(pyrazol-1-ylmethyl)benzoic acid
PubChem CID6484268
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-(pyrazol-1-ylmethyl)benzoic acid
SMILESO=C(O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C11H10N2O2/c14-11(15)10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7H,8H2,(H,14,15)
InChIKeyZHQQRHUITAFMTC-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
1-Methyl-5-phenyl-1H-pyrazole-4-carboxylic acid
CID 2795474
4-(1H-pyrrol-1-ylmethyl)benzoic acid
CID 957070
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
3-(1H-pyrazol-1-ylmethyl)benzoic acid
CID 1263648
methyl 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzenecarboxylate
CID 1485771
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
CID 819613
4-((4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzoic acid
CID 917484

Frequently Asked Questions

What is the IUPAC name of 4-(pyrazol-1-ylmethyl)benzoic acid?
The IUPAC name of 4-(pyrazol-1-ylmethyl)benzoic acid (CID 6484268) is 4-(pyrazol-1-ylmethyl)benzoic acid.
What is the SMILES notation for 4-(pyrazol-1-ylmethyl)benzoic acid?
The canonical SMILES for 4-(pyrazol-1-ylmethyl)benzoic acid is O=C(O)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of 4-(pyrazol-1-ylmethyl)benzoic acid?
The InChIKey is ZHQQRHUITAFMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11(15)10-4-2-9(3-5-10)8-13-7-1-6-12-13/h1-7H,8H2,(H,14,15).
What are the key properties of 4-(pyrazol-1-ylmethyl)benzoic acid?
4-(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 4-(pyrazol-1-ylmethyl)benzoic acid is sourced from PubChem (CID 6484268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).