2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

C21H27N3O4 — CID 120696531

IUPAC2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCOc1cc(C2(C(=O)Nc3cnn(C(C)(C)C(=O)O)c3)CCCC2)ccc1C
InChIInChI=1S/C21H27N3O4/c1-14-7-8-15(11-17(14)28-4)21(9-5-6-10-21)18(25)23-16-12-22-24(13-16)20(2,3)19(26)27/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,23,25)(H,26,27)
InChIKeyOQIICSSNJRFERK-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.47
Rot. Bonds6

About 2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696531) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696531
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCOc1cc(C2(C(=O)Nc3cnn(C(C)(C)C(=O)O)c3)CCCC2)ccc1C
InChIInChI=1S/C21H27N3O4/c1-14-7-8-15(11-17(14)28-4)21(9-5-6-10-21)18(25)23-16-12-22-24(13-16)20(2,3)19(26)27/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,23,25)(H,26,27)
InChIKeyOQIICSSNJRFERK-UHFFFAOYSA-N
XLogP3.47
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]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

2-[4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696919
2-[4-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696186
2-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696592
2-[4-[[4-(3-chlorophenyl)oxane-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696695
2-[4-[(1-ethylcyclopentanecarbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697765
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697609
N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide
CID 86860510
N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1329491
1-(3-methoxy-4-methylphenyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclopropane-1-carboxamide
CID 71880891
N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 56821455
2-[4-[[2-(2-bromo-5-methoxyphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696897

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696531) is 2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is COc1cc(C2(C(=O)Nc3cnn(C(C)(C)C(=O)O)c3)CCCC2)ccc1C.
What is the InChIKey of 2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is OQIICSSNJRFERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14-7-8-15(11-17(14)28-4)21(9-5-6-10-21)18(25)23-16-12-22-24(13-16)20(2,3)19(26)27/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,23,25)(H,26,27).
What are the key properties of 2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 385.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).