1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid

C22H29N3O2 — CID 122125103

IUPAC1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(Cc2cnn(C3CCCC3)c2-c2ccccc2)C1
InChIInChI=1S/C22H29N3O2/c1-16-11-18(22(26)27)14-24(13-16)15-19-12-23-25(20-9-5-6-10-20)21(19)17-7-3-2-4-8-17/h2-4,7-8,12,16,18,20H,5-6,9-11,13-15H2,1H3,(H,26,27)
InChIKeyIZQSKEOPOZKBCH-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.21
Rot. Bonds5

About 1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid

1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122125103) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122125103
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(Cc2cnn(C3CCCC3)c2-c2ccccc2)C1
InChIInChI=1S/C22H29N3O2/c1-16-11-18(22(26)27)14-24(13-16)15-19-12-23-25(20-9-5-6-10-20)21(19)17-7-3-2-4-8-17/h2-4,7-8,12,16,18,20H,5-6,9-11,13-15H2,1H3,(H,26,27)
InChIKeyIZQSKEOPOZKBCH-UHFFFAOYSA-N
XLogP4.21
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-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-[(1-benzylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125500
5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 122125379
1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125443
1-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121437
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125464
4-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030403
1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121628
1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid
CID 122125184
5-methyl-1-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylic acid
CID 122121188
5-methyl-1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122103131
3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 122107208
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121159

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid (CID 122125103) is 1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(Cc2cnn(C3CCCC3)c2-c2ccccc2)C1.
What is the InChIKey of 1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is IZQSKEOPOZKBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-11-18(22(26)27)14-24(13-16)15-19-12-23-25(20-9-5-6-10-20)21(19)17-7-3-2-4-8-17/h2-4,7-8,12,16,18,20H,5-6,9-11,13-15H2,1H3,(H,26,27).
What are the key properties of 1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid?
1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 367.49 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122125103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).