N-(3-carbamoyl-4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide

C18H14FN5O4 — CID 94491182

IUPACN-(3-carbamoyl-4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)c(C(N)=O)c2)c(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C18H14FN5O4/c1-23-9-14(16(22-23)10-2-5-12(6-3-10)24(27)28)18(26)21-11-4-7-15(19)13(8-11)17(20)25/h2-9H,1H3,(H2,20,25)(H,21,26)
InChIKeyYUUUHAUEJGTKPP-UHFFFAOYSA-N
MW383.34 g/mol
LogP2.49
Rot. Bonds5

About N-(3-carbamoyl-4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide

N-(3-carbamoyl-4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide (PubChem CID 94491182) has the molecular formula C18H14FN5O4 and a molecular weight of 383.34 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide
PubChem CID94491182
Molecular FormulaC18H14FN5O4
Molecular Weight383.34 g/mol
Exact Mass383.10
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)c(C(N)=O)c2)c(-c2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C18H14FN5O4/c1-23-9-14(16(22-23)10-2-5-12(6-3-10)24(27)28)18(26)21-11-4-7-15(19)13(8-11)17(20)25/h2-9H,1H3,(H2,20,25)(H,21,26)
InChIKeyYUUUHAUEJGTKPP-UHFFFAOYSA-N
XLogP2.49
TPSA133.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(3-carbamoyl-4-fluorophenyl)-3-(3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 167974587
N-(6-acetamido-1,3-benzothiazol-2-yl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide
CID 167809163
1,3-dimethyl-N-(4-nitrophenyl)pyrazole-4-carboxamide
CID 19474760
N-(4-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150426452
N-(3-chlorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 151307520
N-(3-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150668584
N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoro-5-nitrobenzamide
CID 107462590
N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
CID 154744015
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 166792153
2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
N-(4-acetylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 1287887

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide (CID 94491182) is N-(3-carbamoyl-4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(F)c(C(N)=O)c2)c(-c2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide?
The InChIKey is YUUUHAUEJGTKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O4/c1-23-9-14(16(22-23)10-2-5-12(6-3-10)24(27)28)18(26)21-11-4-7-15(19)13(8-11)17(20)25/h2-9H,1H3,(H2,20,25)(H,21,26).
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide?
N-(3-carbamoyl-4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide has a molecular weight of 383.34 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 94491182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).