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

C14H21N3O3 — CID 19622071

IUPAC2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC1CCCCC1NC(=O)c1cnn(C(C)C(=O)O)c1
InChIInChI=1S/C14H21N3O3/c1-9-5-3-4-6-12(9)16-13(18)11-7-15-17(8-11)10(2)14(19)20/h7-10,12H,3-6H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyVCMQTBAVQPDDQU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.84
Rot. Bonds4

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

2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19622071) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19622071
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC1CCCCC1NC(=O)c1cnn(C(C)C(=O)O)c1
InChIInChI=1S/C14H21N3O3/c1-9-5-3-4-6-12(9)16-13(18)11-7-15-17(8-11)10(2)14(19)20/h7-10,12H,3-6H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyVCMQTBAVQPDDQU-UHFFFAOYSA-N
XLogP1.84
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.84
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-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
(2R)-4-methyl-2-[[1-(3,3,3-trifluoropropyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 121927409

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]propanoic acid (CID 19622071) is 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]propanoic acid is CC1CCCCC1NC(=O)c1cnn(C(C)C(=O)O)c1.
What is the InChIKey of 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is VCMQTBAVQPDDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-5-3-4-6-12(9)16-13(18)11-7-15-17(8-11)10(2)14(19)20/h7-10,12H,3-6H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]propanoic acid?
2-[4-[(2-methylcyclohexyl)carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.84, 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]propanoic acid is sourced from PubChem (CID 19622071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).