N-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C12H11FN4O3 — CID 107335521

IUPACN-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H11FN4O3/c1-6-11(7(2)16-15-6)12(18)14-9-3-8(13)4-10(5-9)17(19)20/h3-5H,1-2H3,(H,14,18)(H,15,16)
InChIKeyOWKWXSUQGWJMBE-UHFFFAOYSA-N
MW278.24 g/mol
LogP2.33
Rot. Bonds3

About N-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 107335521) has the molecular formula C12H11FN4O3 and a molecular weight of 278.24 g/mol. Its IUPAC name is N-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID107335521
Molecular FormulaC12H11FN4O3
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC NameN-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H11FN4O3/c1-6-11(7(2)16-15-6)12(18)14-9-3-8(13)4-10(5-9)17(19)20/h3-5H,1-2H3,(H,14,18)(H,15,16)
InChIKeyOWKWXSUQGWJMBE-UHFFFAOYSA-N
XLogP2.33
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
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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Related Compounds

N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582601
N-(3-fluoro-5-nitrophenyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 107335528
N-(3,5-dichlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582492
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107335092
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 107334858
N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582482
N-(3-fluoro-5-nitrophenyl)propanamide
CID 107335364
N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 107335340
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide
CID 107335598
5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide
CID 107377381
3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide
CID 107334867
N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 107335345

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 107335521) is N-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is OWKWXSUQGWJMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O3/c1-6-11(7(2)16-15-6)12(18)14-9-3-8(13)4-10(5-9)17(19)20/h3-5H,1-2H3,(H,14,18)(H,15,16).
What are the key properties of N-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 278.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 107335521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).