2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid

C18H21N3O3 — CID 166296160

IUPAC2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(Cn2cc(C(=O)NC3CCCC3C(=O)O)cn2)cc1
InChIInChI=1S/C18H21N3O3/c1-12-5-7-13(8-6-12)10-21-11-14(9-19-21)17(22)20-16-4-2-3-15(16)18(23)24/h5-9,11,15-16H,2-4,10H2,1H3,(H,20,22)(H,23,24)
InChIKeyQADHBZGMYSKCSH-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.22
Rot. Bonds5

About 2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid

2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 166296160) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID166296160
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(Cn2cc(C(=O)NC3CCCC3C(=O)O)cn2)cc1
InChIInChI=1S/C18H21N3O3/c1-12-5-7-13(8-6-12)10-21-11-14(9-19-21)17(22)20-16-4-2-3-15(16)18(23)24/h5-9,11,15-16H,2-4,10H2,1H3,(H,20,22)(H,23,24)
InChIKeyQADHBZGMYSKCSH-UHFFFAOYSA-N
XLogP2.22
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic 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-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
3-[(1-benzylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 75498105
2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817088
1-[(4-methoxyphenyl)methyl]-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120556372
2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 86997426
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide
CID 106366042
cis-(1R,2S)-2-[[2-(4-cyclopropylpyrazol-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 136583479
2-[(3-chloro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64815140

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 166296160) is 2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid is Cc1ccc(Cn2cc(C(=O)NC3CCCC3C(=O)O)cn2)cc1.
What is the InChIKey of 2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is QADHBZGMYSKCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-5-7-13(8-6-12)10-21-11-14(9-19-21)17(22)20-16-4-2-3-15(16)18(23)24/h5-9,11,15-16H,2-4,10H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 166296160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).