1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid

C21H25N3O3 — CID 122106902

IUPAC1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cnn(C3CCCC3)c2-c2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c25-20(23-12-10-16(11-13-23)21(26)27)18-14-22-24(17-8-4-5-9-17)19(18)15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,26,27)
InChIKeyKKFLCBRANZSOOS-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.60
Rot. Bonds4

About 1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid

1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 122106902) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID122106902
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cnn(C3CCCC3)c2-c2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c25-20(23-12-10-16(11-13-23)21(26)27)18-14-22-24(17-8-4-5-9-17)19(18)15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,26,27)
InChIKeyKKFLCBRANZSOOS-UHFFFAOYSA-N
XLogP3.60
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[4-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperazin-1-yl]-1H-pyrazol-5-yl]benzonitrile
CID 146145956
3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 122107208
(3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 120514251
3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)-methylamino]-2-methylpropanoic acid
CID 122107757
2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]-3-methoxypropanoic acid
CID 122108945
2-[2-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]ethoxy]acetic acid
CID 122108850
1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid
CID 119349827
1-(2-aminobenzoyl)piperidine-4-carboxylic acid
CID 1211390
2-[3-[(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 122108129
1-[(1-cyclopentyl-5-phenylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125103
1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid
CID 119166332
1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid
CID 62650616

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid (CID 122106902) is 1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2cnn(C3CCCC3)c2-c2ccccc2)CC1.
What is the InChIKey of 1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is KKFLCBRANZSOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20(23-12-10-16(11-13-23)21(26)27)18-14-22-24(17-8-4-5-9-17)19(18)15-6-2-1-3-7-15/h1-3,6-7,14,16-17H,4-5,8-13H2,(H,26,27).
What are the key properties of 1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid?
1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 367.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-5-phenylpyrazole-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 122106902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).