N-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide

C25H30N6O — CID 42685055

IUPACN-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide
SMILESNc1c(NC(=O)N2CCN(C3CCCC3)CC2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C25H30N6O/c26-24-23(27-25(32)30-17-15-29(16-18-30)20-11-7-8-12-20)22(19-9-3-1-4-10-19)28-31(24)21-13-5-2-6-14-21/h1-6,9-10,13-14,20H,7-8,11-12,15-18,26H2,(H,27,32)
InChIKeyYAQPKQAVVDKBGG-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.21
Rot. Bonds4

About N-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide

N-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide (PubChem CID 42685055) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide
PubChem CID42685055
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide
SMILESNc1c(NC(=O)N2CCN(C3CCCC3)CC2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C25H30N6O/c26-24-23(27-25(32)30-17-15-29(16-18-30)20-11-7-8-12-20)22(19-9-3-1-4-10-19)28-31(24)21-13-5-2-6-14-21/h1-6,9-10,13-14,20H,7-8,11-12,15-18,26H2,(H,27,32)
InChIKeyYAQPKQAVVDKBGG-UHFFFAOYSA-N
XLogP4.21
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide
CID 42685121
1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea
CID 42684964
N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 62369641
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 45237197
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
(4-cyclopentylpiperazin-1-yl)-(4-methoxy-1-phenylpyrazol-3-yl)methanone
CID 134020644
(4-cyclopentylpiperazin-1-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 55584927
4-cyclopentyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperazine-1-carboxamide
CID 112825895
N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185073
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 17185082
ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104471

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of N-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide (CID 42685055) is N-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for N-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for N-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide is Nc1c(NC(=O)N2CCN(C3CCCC3)CC2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide?
The InChIKey is YAQPKQAVVDKBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c26-24-23(27-25(32)30-17-15-29(16-18-30)20-11-7-8-12-20)22(19-9-3-1-4-10-19)28-31(24)21-13-5-2-6-14-21/h1-6,9-10,13-14,20H,7-8,11-12,15-18,26H2,(H,27,32).
What are the key properties of N-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide?
N-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide has a molecular weight of 430.56 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 42685055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).