N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide

C30H43N5O3 — CID 129226287

IUPACN-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1
InChIInChI=1S/C30H43N5O3/c1-38-28-15-6-5-14-25(28)27-21-26(33-35(27)24-12-3-4-13-24)30(37)32-23(16-19-34-17-7-2-8-18-34)20-29(36)31-22-10-9-11-22/h5-6,14-15,21-24H,2-4,7-13,16-20H2,1H3,(H,31,36)(H,32,37)/t23-/m0/s1
InChIKeyAMCBQUKTFKFPMN-QHCPKHFHSA-N
MW521.71 g/mol
LogP4.71
Rot. Bonds11

About N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide

N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 129226287) has the molecular formula C30H43N5O3 and a molecular weight of 521.71 g/mol. Its IUPAC name is N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID129226287
Molecular FormulaC30H43N5O3
Molecular Weight521.71 g/mol
Exact Mass521.34
IUPAC NameN-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1
InChIInChI=1S/C30H43N5O3/c1-38-28-15-6-5-14-25(28)27-21-26(33-35(27)24-12-3-4-13-24)30(37)32-23(16-19-34-17-7-2-8-18-34)20-29(36)31-22-10-9-11-22/h5-6,14-15,21-24H,2-4,7-13,16-20H2,1H3,(H,31,36)(H,32,37)/t23-/m0/s1
InChIKeyAMCBQUKTFKFPMN-QHCPKHFHSA-N
XLogP4.71
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.71
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazole scaffold, 1b
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N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
1-Cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10592156
1-Cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10593194
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide
CID 118568534
N-[(3S)-5-cyclohexyl-1-[[(2R)-2-hydroxybutyl]amino]-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
CID 118568652
methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carbonyl]amino]-4-phenylbutanoyl]amino]acetate
CID 118568750
(3S)-5-cyclohexyl-3-[[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carbonyl]amino]pentanoic acid
CID 118568751
methyl 2-[[(3S)-5-cyclohexyl-3-[[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carbonyl]amino]pentanoyl]amino]acetate
CID 118568763
methyl 2-[[(3S)-5-cyclohexyl-3-[[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carbonyl]amino]pentanoyl]-methylamino]acetate
CID 118568772
5-(2,6-dimethoxyphenyl)-N-[(2S)-1-(2-hydroxybutylamino)-1-oxo-4-phenylbutan-2-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide
CID 118568958

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide (CID 129226287) is N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1.
What is the InChIKey of N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is AMCBQUKTFKFPMN-QHCPKHFHSA-N. The full InChI is InChI=1S/C30H43N5O3/c1-38-28-15-6-5-14-25(28)27-21-26(33-35(27)24-12-3-4-13-24)30(37)32-23(16-19-34-17-7-2-8-18-34)20-29(36)31-22-10-9-11-22/h5-6,14-15,21-24H,2-4,7-13,16-20H2,1H3,(H,31,36)(H,32,37)/t23-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide?
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 521.71 g/mol, XLogP of 4.71, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 129226287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).