2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid

C14H22N2O2 — CID 81020421

IUPAC2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1CCC(C(=O)O)C(c2cnn(C)c2)C1
InChIInChI=1S/C14H22N2O2/c1-9(2)10-4-5-12(14(17)18)13(6-10)11-7-15-16(3)8-11/h7-10,12-13H,4-6H2,1-3H3,(H,17,18)
InChIKeyPVGBHJAQCGHDER-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.66
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid

2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 81020421) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID81020421
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1CCC(C(=O)O)C(c2cnn(C)c2)C1
InChIInChI=1S/C14H22N2O2/c1-9(2)10-4-5-12(14(17)18)13(6-10)11-7-15-16(3)8-11/h7-10,12-13H,4-6H2,1-3H3,(H,17,18)
InChIKeyPVGBHJAQCGHDER-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid
CID 81009464
2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexan-1-amine
CID 81014075
2-methyl-1-[2-(1-methylpyrazol-4-yl)cyclopropyl]propan-1-one
CID 139468604
2-(6-methyl-3-pyridinyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020663
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120936219
2-(1-propylpyrazol-4-yl)cyclobutane-1-carboxylic acid
CID 81008575
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 120933028
4-propan-2-yl-2-(2,4,5-trimethylphenyl)cyclohexane-1-carboxylic acid
CID 81013563
2-(2-methylphenyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021069
N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935713
(4-cyclopentylpiperazin-1-yl)-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590740
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590738

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid (CID 81020421) is 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid is CC(C)C1CCC(C(=O)O)C(c2cnn(C)c2)C1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is PVGBHJAQCGHDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)10-4-5-12(14(17)18)13(6-10)11-7-15-16(3)8-11/h7-10,12-13H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-4-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81020421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).