2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

C20H28N4O3 — CID 120696368

IUPAC2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c(C)n1C1CCCCC1
InChIInChI=1S/C20H28N4O3/c1-13-10-17(14(2)24(13)16-8-6-5-7-9-16)18(25)22-15-11-21-23(12-15)20(3,4)19(26)27/h10-12,16H,5-9H2,1-4H3,(H,22,25)(H,26,27)
InChIKeyWUHQDKRKUQZIOI-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.88
Rot. Bonds5

About 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696368) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696368
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c(C)n1C1CCCCC1
InChIInChI=1S/C20H28N4O3/c1-13-10-17(14(2)24(13)16-8-6-5-7-9-16)18(25)22-15-11-21-23(12-15)20(3,4)19(26)27/h10-12,16H,5-9H2,1-4H3,(H,22,25)(H,26,27)
InChIKeyWUHQDKRKUQZIOI-UHFFFAOYSA-N
XLogP3.88
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-2,5-dimethyl-N-(1H-pyrazol-4-yl)pyrrole-3-carboxamide
CID 132968634
N-(2-tert-butylpyrimidin-5-yl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
CID 75417454
2-[4-[(2-cyclohexylacetyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696628
1-cyclohexyl-2,5-dimethyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrole-3-carboxamide
CID 55970820
1-cyclopropyl-2,5-dimethyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 17471885
N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119522503
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697118
methyl 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]phenoxy]acetate
CID 55962259
2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]-3-methylbutanoic acid
CID 119170063
2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696220
1-cyclohexyl-2,5-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-3-carboxamide
CID 24559929

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696368) is 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c(C)n1C1CCCCC1.
What is the InChIKey of 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is WUHQDKRKUQZIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-13-10-17(14(2)24(13)16-8-6-5-7-9-16)18(25)22-15-11-21-23(12-15)20(3,4)19(26)27/h10-12,16H,5-9H2,1-4H3,(H,22,25)(H,26,27).
What are the key properties of 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 372.47 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).