2-cyclohexyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid

C15H23N3O3 — CID 61014789

IUPAC2-cyclohexyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(C)c(C)c1C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H23N3O3/c1-9-12(10(2)18(3)17-9)14(19)16-13(15(20)21)11-7-5-4-6-8-11/h11,13H,4-8H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyPTAFTXCHJWJYEU-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.80
Rot. Bonds4

About 2-cyclohexyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid

2-cyclohexyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 61014789) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID61014789
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-cyclohexyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
SMILESCc1nn(C)c(C)c1C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H23N3O3/c1-9-12(10(2)18(3)17-9)14(19)16-13(15(20)21)11-7-5-4-6-8-11/h11,13H,4-8H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyPTAFTXCHJWJYEU-UHFFFAOYSA-N
XLogP1.80
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[[5-(Difluoromethyl)-1-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methyl]pyrazole-4-carbonyl]amino]ethyl]-2-methylcyclohexane-1-carboxylic acid
CID 123316607
1-[[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 72151970
1-[2-[3,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanoylamino]cyclohexane-1-carboxylic acid
CID 120512711
1-[[2-[3,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120512778
4-[[2,2,2-Trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674646
2-[(3-Cyclohexyl-1-methylpyrazole-4-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 121878484
2-[(3,5-Dimethyl-1-propylpyrazole-4-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 121878567
2-[(3-Cyclohexyl-1-methylpyrazole-4-carbonyl)amino]-3-fluoropropanoic acid
CID 121945399
2-[(3-Cyclohexyl-1-methylpyrazole-4-carbonyl)amino]-4,4-difluorobutanoic acid
CID 121956248
5-Cyclohexyl-4-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]pentanoic acid
CID 122056539
(2S)-2-[[5-[chloro(difluoro)methyl]-1,3-dimethylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 166399562
(2R)-2-[[5-[chloro(difluoro)methyl]-1,3-dimethylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 167978893

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid (CID 61014789) is 2-cyclohexyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid is Cc1nn(C)c(C)c1C(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is PTAFTXCHJWJYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9-12(10(2)18(3)17-9)14(19)16-13(15(20)21)11-7-5-4-6-8-11/h11,13H,4-8H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 2-cyclohexyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid?
2-cyclohexyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 61014789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).