N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide

C12H12FN3O — CID 45285304

IUPACN-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccccc1F
InChIInChI=1S/C12H12FN3O/c1-8-9(7-16(2)15-8)12(17)14-11-6-4-3-5-10(11)13/h3-7H,1-2H3,(H,14,17)
InChIKeyPTKWGZSVFVEUGH-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.12
Rot. Bonds2

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

N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 45285304) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID45285304
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccccc1F
InChIInChI=1S/C12H12FN3O/c1-8-9(7-16(2)15-8)12(17)14-11-6-4-3-5-10(11)13/h3-7H,1-2H3,(H,14,17)
InChIKeyPTKWGZSVFVEUGH-UHFFFAOYSA-N
XLogP2.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
CID 39854004
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide
CID 102805391
N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 158126959
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848
N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane
CID 143363894
N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103820430
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110852445
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid
CID 75513355
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide
CID 114258712

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 45285304) is N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is PTKWGZSVFVEUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-9(7-16(2)15-8)12(17)14-11-6-4-3-5-10(11)13/h3-7H,1-2H3,(H,14,17).
What are the key properties of N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 233.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 45285304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).