5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide

C23H18N4O3 — CID 19473299

IUPAC5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H18N4O3/c1-16-21(23(28)24-18-12-14-20(15-13-18)27(29)30)22(17-8-4-2-5-9-17)25-26(16)19-10-6-3-7-11-19/h2-15H,1H3,(H,24,28)
InChIKeyUSADEYBBPVFYFX-UHFFFAOYSA-N
MW398.42 g/mol
LogP5.01
Rot. Bonds5

About 5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide

5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19473299) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19473299
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H18N4O3/c1-16-21(23(28)24-18-12-14-20(15-13-18)27(29)30)22(17-8-4-2-5-9-17)25-26(16)19-10-6-3-7-11-19/h2-15H,1H3,(H,24,28)
InChIKeyUSADEYBBPVFYFX-UHFFFAOYSA-N
XLogP5.01
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.42
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

5-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19473414
5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol
CID 15026182
N-(3-hydroxyphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473579
N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473415
5-methyl-N-[3-(3-methyl-5-propan-2-ylphenoxy)-5-nitrophenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 3959111
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 998979
N-(4-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150426452
N-(2-hydroxy-5-nitrophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477769
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473295
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide (CID 19473299) is 5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is USADEYBBPVFYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-16-21(23(28)24-18-12-14-20(15-13-18)27(29)30)22(17-8-4-2-5-9-17)25-26(16)19-10-6-3-7-11-19/h2-15H,1H3,(H,24,28).
What are the key properties of 5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide?
5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19473299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).