N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide

C19H18FN3O — CID 19399960

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cnn(Cc3ccccc3F)c2)c1
InChIInChI=1S/C19H18FN3O/c1-13-7-8-14(2)17(9-13)19(24)22-16-10-21-23(12-16)11-15-5-3-4-6-18(15)20/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyKAZTYSXBXJBIDW-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.94
Rot. Bonds4

About N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide (PubChem CID 19399960) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
PubChem CID19399960
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cnn(Cc3ccccc3F)c2)c1
InChIInChI=1S/C19H18FN3O/c1-13-7-8-14(2)17(9-13)19(24)22-16-10-21-23(12-16)11-15-5-3-4-6-18(15)20/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyKAZTYSXBXJBIDW-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

2,5-dimethyl-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19407997
2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401831
2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336310
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19407730
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19399965
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823313
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 35590668
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19493100
1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 5074181

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide (CID 19399960) is N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2cnn(Cc3ccccc3F)c2)c1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide?
The InChIKey is KAZTYSXBXJBIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-13-7-8-14(2)17(9-13)19(24)22-16-10-21-23(12-16)11-15-5-3-4-6-18(15)20/h3-10,12H,11H2,1-2H3,(H,22,24).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide 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-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide is sourced from PubChem (CID 19399960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).