N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide

C26H24ClFN6O — CID 42685121

IUPACN-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide
SMILESNc1c(NC(=O)N2CCN(c3ccccc3)CC2)c(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C26H24ClFN6O/c27-19-8-6-18(7-9-19)23-24(25(29)34(31-23)22-12-10-20(28)11-13-22)30-26(35)33-16-14-32(15-17-33)21-4-2-1-3-5-21/h1-13H,14-17,29H2,(H,30,35)
InChIKeyUBZZYCMBXUPXHX-UHFFFAOYSA-N
MW490.97 g/mol
LogP5.27
Rot. Bonds4

About N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide

N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide (PubChem CID 42685121) has the molecular formula C26H24ClFN6O and a molecular weight of 490.97 g/mol. Its IUPAC name is N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide
PubChem CID42685121
Molecular FormulaC26H24ClFN6O
Molecular Weight490.97 g/mol
Exact Mass490.17
IUPAC NameN-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide
SMILESNc1c(NC(=O)N2CCN(c3ccccc3)CC2)c(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C26H24ClFN6O/c27-19-8-6-18(7-9-19)23-24(25(29)34(31-23)22-12-10-20(28)11-13-22)30-26(35)33-16-14-32(15-17-33)21-4-2-1-3-5-21/h1-13H,14-17,29H2,(H,30,35)
InChIKeyUBZZYCMBXUPXHX-UHFFFAOYSA-N
XLogP5.27
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.97
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]carbamate
CID 42684862
N-(5-amino-1,3-diphenylpyrazol-4-yl)-4-cyclopentylpiperazine-1-carboxamide
CID 42685055
1-[5-amino-1,3-bis(4-chlorophenyl)pyrazol-4-yl]-3-[(4-fluorophenyl)methyl]urea
CID 42873178
1-[5-amino-1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-3-cyclopropylurea
CID 42684964
4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide
CID 4985902
3-[5-amino-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-benzyl-1-methylurea
CID 42685189
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
CID 108896638
phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate
CID 42684864
1-[5-amino-1,3-bis(4-chlorophenyl)pyrazol-4-yl]-3-(2-phenoxyethyl)urea
CID 42685093
5-amino-N-[4-[[5-amino-3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]phenyl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 139225071
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864
[4-(4-chlorophenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanone
CID 42536958

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide (CID 42685121) is N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide is Nc1c(NC(=O)N2CCN(c3ccccc3)CC2)c(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1.
What is the InChIKey of N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is UBZZYCMBXUPXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN6O/c27-19-8-6-18(7-9-19)23-24(25(29)34(31-23)22-12-10-20(28)11-13-22)30-26(35)33-16-14-32(15-17-33)21-4-2-1-3-5-21/h1-13H,14-17,29H2,(H,30,35).
What are the key properties of N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide?
N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 490.97 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-3-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 42685121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).