2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid

C13H19N3O3 — CID 19621953

IUPAC2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCC1CCCCC1NC(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C13H19N3O3/c1-9-4-2-3-5-11(9)15-13(19)10-6-14-16(7-10)8-12(17)18/h6-7,9,11H,2-5,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyHYFVMRPKGOZBQU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.28
Rot. Bonds4

About 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid

2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19621953) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19621953
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid
SMILESCC1CCCCC1NC(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C13H19N3O3/c1-9-4-2-3-5-11(9)15-13(19)10-6-14-16(7-10)8-12(17)18/h6-7,9,11H,2-5,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyHYFVMRPKGOZBQU-UHFFFAOYSA-N
XLogP1.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
[(1R)-1-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 177377105
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate
CID 47011758
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[(2S)-3,3-dimethylbutan-2-yl]pyrazole-4-carboxamide
CID 96522378
1-methyl-N-[3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
CID 45806586
1-methyl-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
CID 93914232
1-methyl-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
CID 93914233
1-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
CID 93914234
1-methyl-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
CID 93914235
2-[[1-[2-(Cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]-4,4,4-trifluorobutanoic acid
CID 121878701
(2S)-3-methyl-2-[[1-(3,3,3-trifluoropropyl)pyrazole-4-carbonyl]amino]butanoic acid
CID 121926388
(2S)-4-methyl-2-[[1-(3,3,3-trifluoropropyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 121926855

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid (CID 19621953) is 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid is CC1CCCCC1NC(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is HYFVMRPKGOZBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-4-2-3-5-11(9)15-13(19)10-6-14-16(7-10)8-12(17)18/h6-7,9,11H,2-5,8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19621953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).