N-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide

C17H14FN3O — CID 122380407

IUPACN-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(F)cc2)c1-n1cccn1
InChIInChI=1S/C17H14FN3O/c1-12-4-2-5-15(16(12)21-11-3-10-19-21)17(22)20-14-8-6-13(18)7-9-14/h2-11H,1H3,(H,20,22)
InChIKeyQCUAJXWDMITUIA-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.57
Rot. Bonds3

About N-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide

N-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide (PubChem CID 122380407) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide
PubChem CID122380407
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(F)cc2)c1-n1cccn1
InChIInChI=1S/C17H14FN3O/c1-12-4-2-5-15(16(12)21-11-3-10-19-21)17(22)20-14-8-6-13(18)7-9-14/h2-11H,1H3,(H,20,22)
InChIKeyQCUAJXWDMITUIA-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

3-methyl-N-phenyl-2-pyrazol-1-ylbenzamide
CID 122380402
2,4-difluoro-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121072795
N-(4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110858696
3-fluoro-N-(4-fluorophenyl)-2-methoxybenzamide
CID 175986233
N-(4-fluorophenyl)pyrazole-1-carboxamide
CID 3631055
N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936831
methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate
CID 86991803
N-(4-fluorophenyl)-3-methylnaphthalene-2-carboxamide
CID 91032994
3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide
CID 62648773
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
2,3-dimethyl-N-pyridin-4-ylbenzamide
CID 27700072
N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide
CID 86991823

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide (CID 122380407) is N-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide is Cc1cccc(C(=O)Nc2ccc(F)cc2)c1-n1cccn1.
What is the InChIKey of N-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide?
The InChIKey is QCUAJXWDMITUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-12-4-2-5-15(16(12)21-11-3-10-19-21)17(22)20-14-8-6-13(18)7-9-14/h2-11H,1H3,(H,20,22).
What are the key properties of N-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide?
N-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide 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-(4-fluorophenyl)-3-methyl-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 122380407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).