1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide

C19H17FN4O3 — CID 46413058

IUPAC1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O3/c1-13-17(11-21-23(13)16-9-7-15(20)8-10-16)19(25)22(2)12-14-5-3-4-6-18(14)24(26)27/h3-11H,12H2,1-2H3
InChIKeyYKSQLPRLSDMZEH-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.50
Rot. Bonds5

About 1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide (PubChem CID 46413058) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide
PubChem CID46413058
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN4O3/c1-13-17(11-21-23(13)16-9-7-15(20)8-10-16)19(25)22(2)12-14-5-3-4-6-18(14)24(26)27/h3-11H,12H2,1-2H3
InChIKeyYKSQLPRLSDMZEH-UHFFFAOYSA-N
XLogP3.50
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
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

1-(3-chlorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide
CID 46413085
N,5-dimethyl-N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46399431
N-methyl-2-nitro-N-[(2-nitrophenyl)methyl]benzamide
CID 46413108
3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide
CID 115645822
N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39862153
7-fluoro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]quinoline-4-carboxamide
CID 46687409
N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119653761
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 34472485
1-(4-fluorophenyl)-5-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 55982722
1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 38488734
N,5-dimethyl-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 78863932
1-(4-fluorophenyl)-N-iodo-5-methyl-N-propylpyrazole-4-carboxamide
CID 142010489

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide (CID 46413058) is 1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide is Cc1c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is YKSQLPRLSDMZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-13-17(11-21-23(13)16-9-7-15(20)8-10-16)19(25)22(2)12-14-5-3-4-6-18(14)24(26)27/h3-11H,12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,5-dimethyl-N-[(2-nitrophenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46413058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).