N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide

C17H14FN3O — CID 9210715

IUPACN-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1F
InChIInChI=1S/C17H14FN3O/c1-12-7-8-14(9-16(12)18)20-17(22)13-10-19-21(11-13)15-5-3-2-4-6-15/h2-11H,1H3,(H,20,22)
InChIKeyORGMFABCIYEBMS-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.57
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide

N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 9210715) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID9210715
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1F
InChIInChI=1S/C17H14FN3O/c1-12-7-8-14(9-16(12)18)20-17(22)13-10-19-21(11-13)15-5-3-2-4-6-15/h2-11H,1H3,(H,20,22)
InChIKeyORGMFABCIYEBMS-UHFFFAOYSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-iodo-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 26285543
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25468256
N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 95235133
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55839751
N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 86806955
N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 50772677
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 78890736
1-(4-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrazole-4-carboxamide
CID 55774788
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 134029541
N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 37179370
N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579165

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 9210715) is N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is ORGMFABCIYEBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-12-7-8-14(9-16(12)18)20-17(22)13-10-19-21(11-13)15-5-3-2-4-6-15/h2-11H,1H3,(H,20,22).
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 9210715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).