N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide

C19H18FN3O — CID 73213307

IUPACN-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)Nc3ccccc3F)cc2C)cc1
InChIInChI=1S/C19H18FN3O/c1-13-7-9-15(10-8-13)12-23-14(2)11-18(22-23)19(24)21-17-6-4-3-5-16(17)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyKRTTVPWEQWMOKU-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.94
Rot. Bonds4

About N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide

N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 73213307) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID73213307
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)Nc3ccccc3F)cc2C)cc1
InChIInChI=1S/C19H18FN3O/c1-13-7-9-15(10-8-13)12-23-14(2)11-18(22-23)19(24)21-17-6-4-3-5-16(17)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyKRTTVPWEQWMOKU-UHFFFAOYSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 91004769
1-benzyl-5-methylpyrazole-3-carbohydrazide
CID 26597167
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373118
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide
CID 35323608
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508
1-[1-[(4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]ethanone
CID 139467373
[2-(2-fluoroanilino)-2-oxoethyl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 7690816
1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 2747069
N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 73213157
1-(1-benzyl-5-methylpyrazol-3-yl)ethanone
CID 91343966
N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 112848349
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-fluorobenzamide
CID 17088839

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide (CID 73213307) is N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide is Cc1ccc(Cn2nc(C(=O)Nc3ccccc3F)cc2C)cc1.
What is the InChIKey of N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is KRTTVPWEQWMOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-13-7-9-15(10-8-13)12-23-14(2)11-18(22-23)19(24)21-17-6-4-3-5-16(17)20/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 73213307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).