N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

C18H13FN4O — CID 174832757

IUPACN-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C18H13FN4O/c1-23-17(10-16(22-23)13-4-6-14(19)7-5-13)18(24)21-15-8-2-12(11-20)3-9-15/h2-10H,1H3,(H,21,24)
InChIKeyVTTWXVSCCJXTDF-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.35
Rot. Bonds3

About N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 174832757) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID174832757
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC NameN-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C18H13FN4O/c1-23-17(10-16(22-23)13-4-6-14(19)7-5-13)18(24)21-15-8-2-12(11-20)3-9-15/h2-10H,1H3,(H,21,24)
InChIKeyVTTWXVSCCJXTDF-UHFFFAOYSA-N
XLogP3.35
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 771732
3-(4-fluorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 174832317
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
3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide
CID 121083931
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
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-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122292068
3-(4-fluorophenyl)-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 121083918
3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 121141491

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 174832757) is N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is VTTWXVSCCJXTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-23-17(10-16(22-23)13-4-6-14(19)7-5-13)18(24)21-15-8-2-12(11-20)3-9-15/h2-10H,1H3,(H,21,24).
What are the key properties of N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 320.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 174832757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).