5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide

C23H19ClN4O3 — CID 19852526

IUPAC5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide
SMILESCC1(c2ccccc2)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN4O3/c1-23(17-5-3-2-4-6-17)15-27(26-21(23)16-7-9-18(24)10-8-16)22(29)25-19-11-13-20(14-12-19)28(30)31/h2-14H,15H2,1H3,(H,25,29)
InChIKeyCTQDGZNMRPFGRF-UHFFFAOYSA-N
MW434.88 g/mol
LogP5.46
Rot. Bonds4

About 5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide

5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide (PubChem CID 19852526) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide
PubChem CID19852526
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide
SMILESCC1(c2ccccc2)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN4O3/c1-23(17-5-3-2-4-6-17)15-27(26-21(23)16-7-9-18(24)10-8-16)22(29)25-19-11-13-20(14-12-19)28(30)31/h2-14H,15H2,1H3,(H,25,29)
InChIKeyCTQDGZNMRPFGRF-UHFFFAOYSA-N
XLogP5.46
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.88
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide (CID 19852526) is 5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide is CC1(c2ccccc2)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide?
The InChIKey is CTQDGZNMRPFGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-23(17-5-3-2-4-6-17)15-27(26-21(23)16-7-9-18(24)10-8-16)22(29)25-19-11-13-20(14-12-19)28(30)31/h2-14H,15H2,1H3,(H,25,29).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide?
5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide has a molecular weight of 434.88 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-N-(4-nitrophenyl)-4-phenyl-3H-pyrazole-2-carboxamide is sourced from PubChem (CID 19852526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).