2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

C15H23N3O3 — CID 120696628

IUPAC2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)CC2CCCCC2)cn1
InChIInChI=1S/C15H23N3O3/c1-15(2,14(20)21)18-10-12(9-16-18)17-13(19)8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyOURYKMNSOLMDIP-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.61
Rot. Bonds5

About 2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696628) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696628
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(NC(=O)CC2CCCCC2)cn1
InChIInChI=1S/C15H23N3O3/c1-15(2,14(20)21)18-10-12(9-16-18)17-13(19)8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyOURYKMNSOLMDIP-UHFFFAOYSA-N
XLogP2.61
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-(cyclopropylmethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696993
2-[4-[[2-(2-methoxyethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696437
2-methyl-2-[4-[(2-propan-2-ylsulfonylacetyl)amino]pyrazol-1-yl]propanoic acid
CID 120696216
2-[4-[(4,4-difluorocyclohexanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696423
2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696368
2-methyl-2-[4-(3-propan-2-yloxypropanoylamino)pyrazol-1-yl]propanoic acid
CID 120696798
2-[4-[(1-ethylcyclopentanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697765
2-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696592
2-methyl-2-[4-[[1-(2-methylpropyl)cyclobutanecarbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697304
2-[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696739
2-methyl-2-[4-(spiro[2.2]pentane-2-carbonylamino)pyrazol-1-yl]propanoic acid
CID 122108714
N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide
CID 62675763

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696628) is 2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)n1cc(NC(=O)CC2CCCCC2)cn1.
What is the InChIKey of 2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is OURYKMNSOLMDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,14(20)21)18-10-12(9-16-18)17-13(19)8-11-6-4-3-5-7-11/h9-11H,3-8H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 293.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).