N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

C19H18FN3O2 — CID 25284371

IUPACN-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C19H18FN3O2/c1-12-5-4-6-16(13(12)2)21-19(24)18-17(25-3)11-23(22-18)15-9-7-14(20)8-10-15/h4-11H,1-3H3,(H,21,24)
InChIKeyKHLIYTJYMVXVRQ-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.89
Rot. Bonds4

About N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (PubChem CID 25284371) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
PubChem CID25284371
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C19H18FN3O2/c1-12-5-4-6-16(13(12)2)21-19(24)18-17(25-3)11-23(22-18)15-9-7-14(20)8-10-15/h4-11H,1-3H3,(H,21,24)
InChIKeyKHLIYTJYMVXVRQ-UHFFFAOYSA-N
XLogP3.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557159
N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 51095266
4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55714348
N-(2-fluoro-5-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561066
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
1-(4-fluorophenyl)-4-methoxy-N-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557151
4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide
CID 27844736
4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide
CID 39964657
N-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 55834776
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
CID 53169717
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
4-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-1-phenylpyrazole-3-carboxamide
CID 167751714

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (CID 25284371) is N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The InChIKey is KHLIYTJYMVXVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-12-5-4-6-16(13(12)2)21-19(24)18-17(25-3)11-23(22-18)15-9-7-14(20)8-10-15/h4-11H,1-3H3,(H,21,24).
What are the key properties of N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is sourced from PubChem (CID 25284371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).