4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide

C17H14FN3O — CID 57334620

IUPAC4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide
SMILESCc1cc(-c2ccc(F)cc2)n(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C17H14FN3O/c1-11-10-16(12-2-6-14(18)7-3-12)21(20-11)15-8-4-13(5-9-15)17(19)22/h2-10H,1H3,(H2,19,22)
InChIKeyUNHHGUJGOMFCGC-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.09
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide

4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide (PubChem CID 57334620) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide
PubChem CID57334620
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide
SMILESCc1cc(-c2ccc(F)cc2)n(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C17H14FN3O/c1-11-10-16(12-2-6-14(18)7-3-12)21(20-11)15-8-4-13(5-9-15)17(19)22/h2-10H,1H3,(H2,19,22)
InChIKeyUNHHGUJGOMFCGC-UHFFFAOYSA-N
XLogP3.09
TPSA60.91 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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide
CID 57334621
3-methyl-1,5-bis(4-methylphenyl)pyrazole
CID 59881727
1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide
CID 10830058
4-(3-methyl-5-phenylpyrazol-1-yl)benzoate
CID 7140279
methyl 4-[3-bromo-1-(4-fluorophenyl)pyrazol-5-yl]benzoate
CID 54763253
N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862170
4-[5-[4-(3,5-dichlorophenyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 10412689
ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
CID 11370315
chloromethane;4-fluorobenzamide
CID 158476805
ethyl (E)-3-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]prop-2-enoate
CID 14871132
(4-methoxycarbonylphenyl) 4-(3-methyl-5-phenylpyrazol-1-yl)benzoate
CID 4862192
1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole
CID 174579266

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide (CID 57334620) is 4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide is Cc1cc(-c2ccc(F)cc2)n(-c2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide?
The InChIKey is UNHHGUJGOMFCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-11-10-16(12-2-6-14(18)7-3-12)21(20-11)15-8-4-13(5-9-15)17(19)22/h2-10H,1H3,(H2,19,22).
What are the key properties of 4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide?
4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide has a molecular weight of 295.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]benzamide is sourced from PubChem (CID 57334620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).