N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide

C17H13F2N3O2 — CID 51095266

IUPACN-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C17H13F2N3O2/c1-24-14-10-22(11-6-3-2-4-7-11)21-16(14)17(23)20-13-9-5-8-12(18)15(13)19/h2-10H,1H3,(H,20,23)
InChIKeyAMRSARGKCQGWAU-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.41
Rot. Bonds4

About N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide

N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 51095266) has the molecular formula C17H13F2N3O2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
PubChem CID51095266
Molecular FormulaC17H13F2N3O2
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C17H13F2N3O2/c1-24-14-10-22(11-6-3-2-4-7-11)21-16(14)17(23)20-13-9-5-8-12(18)15(13)19/h2-10H,1H3,(H,20,23)
InChIKeyAMRSARGKCQGWAU-UHFFFAOYSA-N
XLogP3.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561066
4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide
CID 27844736
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
[2-(2-fluoroanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523396
4-methoxy-1-phenyl-N-quinolin-5-ylpyrazole-3-carboxamide
CID 39964657
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
CID 25284371
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 9382521
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27847993
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55714348
N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27844853
4-methoxy-1-phenyl-N-pyridin-2-ylpyrazole-3-carboxamide
CID 24538158

Frequently Asked Questions

What is the IUPAC name of N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide (CID 51095266) is N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(F)c1F.
What is the InChIKey of N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is AMRSARGKCQGWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2/c1-24-14-10-22(11-6-3-2-4-7-11)21-16(14)17(23)20-13-9-5-8-12(18)15(13)19/h2-10H,1H3,(H,20,23).
What are the key properties of N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 51095266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).