2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid

C18H22N2O2 — CID 166637762

IUPAC2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cnn(CC3CCCCC3)c2)cc1
InChIInChI=1S/C18H22N2O2/c21-18(22)10-14-6-8-16(9-7-14)17-11-19-20(13-17)12-15-4-2-1-3-5-15/h6-9,11,13,15H,1-5,10,12H2,(H,21,22)
InChIKeySSVCDYQILMQXFN-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.76
Rot. Bonds5

About 2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid

2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid (PubChem CID 166637762) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid
PubChem CID166637762
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cnn(CC3CCCCC3)c2)cc1
InChIInChI=1S/C18H22N2O2/c21-18(22)10-14-6-8-16(9-7-14)17-11-19-20(13-17)12-15-4-2-1-3-5-15/h6-9,11,13,15H,1-5,10,12H2,(H,21,22)
InChIKeySSVCDYQILMQXFN-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-3-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid
CID 170835965
4-[1-(cyclopropylmethyl)pyrazol-4-yl]benzoic acid
CID 122555883
2-[4-[1-(cyclobutylmethyl)pyrazol-4-yl]phenyl]ethanamine
CID 166637784
2-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]phenyl]ethanol
CID 166637809
2-[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]acetic acid
CID 166637756
6-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid
CID 172868753
4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-6-methylbenzoic acid
CID 171365282
1-[1-(cyclopentylmethyl)pyrazol-4-yl]ethanone
CID 62727814
2-chloro-1-[1-(cyclohexylmethyl)pyrazol-4-yl]ethanone
CID 122240834
5-[1-(cyclobutylmethyl)pyrazol-4-yl]pyridin-2-amine
CID 166624876
4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-phenylmethoxyaniline
CID 171921778
2-[4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]phenyl]ethanamine
CID 166637790

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid (CID 166637762) is 2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid is O=C(O)Cc1ccc(-c2cnn(CC3CCCCC3)c2)cc1.
What is the InChIKey of 2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid?
The InChIKey is SSVCDYQILMQXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-18(22)10-14-6-8-16(9-7-14)17-11-19-20(13-17)12-15-4-2-1-3-5-15/h6-9,11,13,15H,1-5,10,12H2,(H,21,22).
What are the key properties of 2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid?
2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid has a molecular weight of 298.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(cyclohexylmethyl)pyrazol-4-yl]phenyl]acetic acid is sourced from PubChem (CID 166637762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).