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

C32H47N5O2 — CID 129226318

IUPACN-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCC(C)c1ccccc1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1
InChIInChI=1S/C32H47N5O2/c1-23(2)27-15-6-7-16-28(27)30-22-29(35-37(30)26-13-4-5-14-26)32(39)34-25(17-20-36-18-8-3-9-19-36)21-31(38)33-24-11-10-12-24/h6-7,15-16,22-26H,3-5,8-14,17-21H2,1-2H3,(H,33,38)(H,34,39)/t25-/m0/s1
InChIKeySELLQIPQHMKOFY-VWLOTQADSA-N
MW533.76 g/mol
LogP5.82
Rot. Bonds11

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

N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-propan-2-ylphenyl)pyrazole-3-carboxamide (PubChem CID 129226318) has the molecular formula C32H47N5O2 and a molecular weight of 533.76 g/mol. Its IUPAC name is N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-propan-2-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
PubChem CID129226318
Molecular FormulaC32H47N5O2
Molecular Weight533.76 g/mol
Exact Mass533.37
IUPAC NameN-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCC(C)c1ccccc1-c1cc(C(=O)N[C@@H](CCN2CCCCC2)CC(=O)NC2CCC2)nn1C1CCCC1
InChIInChI=1S/C32H47N5O2/c1-23(2)27-15-6-7-16-28(27)30-22-29(35-37(30)26-13-4-5-14-26)32(39)34-25(17-20-36-18-8-3-9-19-36)21-31(38)33-24-11-10-12-24/h6-7,15-16,22-26H,3-5,8-14,17-21H2,1-2H3,(H,33,38)(H,34,39)/t25-/m0/s1
InChIKeySELLQIPQHMKOFY-VWLOTQADSA-N
XLogP5.82
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.76
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-propan-2-ylphenyl)pyrazole-3-carboxamide with MolForge

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Related Compounds

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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-propan-2-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-propan-2-ylphenyl)pyrazole-3-carboxamide (CID 129226318) is N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-propan-2-ylphenyl)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-propan-2-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-propan-2-ylphenyl)pyrazole-3-carboxamide is CC(C)c1ccccc1-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-propan-2-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is SELLQIPQHMKOFY-VWLOTQADSA-N. The full InChI is InChI=1S/C32H47N5O2/c1-23(2)27-15-6-7-16-28(27)30-22-29(35-37(30)26-13-4-5-14-26)32(39)34-25(17-20-36-18-8-3-9-19-36)21-31(38)33-24-11-10-12-24/h6-7,15-16,22-26H,3-5,8-14,17-21H2,1-2H3,(H,33,38)(H,34,39)/t25-/m0/s1.
What are the key properties of N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-propan-2-ylphenyl)pyrazole-3-carboxamide?
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-propan-2-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 533.76 g/mol, XLogP of 5.82, 11 rotatable bonds, 2 hydrogen bond donors, and 5 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-propan-2-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 129226318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).