N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide

C17H13FN4O3 — CID 771732

IUPACN-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H13FN4O3/c1-21-16(17(23)19-13-6-4-12(18)5-7-13)10-15(20-21)11-2-8-14(9-3-11)22(24)25/h2-10H,1H3,(H,19,23)
InChIKeyMVLBHWWXXRZTGP-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.39
Rot. Bonds4

About N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide

N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide (PubChem CID 771732) has the molecular formula C17H13FN4O3 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide
PubChem CID771732
Molecular FormulaC17H13FN4O3
Molecular Weight340.31 g/mol
Exact Mass340.10
IUPAC NameN-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H13FN4O3/c1-21-16(17(23)19-13-6-4-12(18)5-7-13)10-15(20-21)11-2-8-14(9-3-11)22(24)25/h2-10H,1H3,(H,19,23)
InChIKeyMVLBHWWXXRZTGP-UHFFFAOYSA-N
XLogP3.39
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.39
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

N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 174832757
N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
CID 42758287
4-fluoro-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 579434
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 174832381
N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122301993
3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide
CID 122300852
1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 4638093
3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl chloride
CID 83381357
3-(4-fluorophenyl)-1-methyl-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyrazole-5-carboxamide
CID 122316797
3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 121141491
[1-methyl-3-(4-nitrophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 42762350
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide (CID 771732) is N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide is Cn1nc(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide?
The InChIKey is MVLBHWWXXRZTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3/c1-21-16(17(23)19-13-6-4-12(18)5-7-13)10-15(20-21)11-2-8-14(9-3-11)22(24)25/h2-10H,1H3,(H,19,23).
What are the key properties of N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide?
N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 771732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).