N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

C15H16F3N3O2 — CID 19557669

IUPACN-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2ccc(F)cc2OC(F)F)n1
InChIInChI=1S/C15H16F3N3O2/c1-9-7-10(2)21(20-9)6-5-14(22)19-12-4-3-11(16)8-13(12)23-15(17)18/h3-4,7-8,15H,5-6H2,1-2H3,(H,19,22)
InChIKeyIEFFUZIMXNICCN-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.27
Rot. Bonds6

About N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 19557669) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID19557669
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2ccc(F)cc2OC(F)F)n1
InChIInChI=1S/C15H16F3N3O2/c1-9-7-10(2)21(20-9)6-5-14(22)19-12-4-3-11(16)8-13(12)23-15(17)18/h3-4,7-8,15H,5-6H2,1-2H3,(H,19,22)
InChIKeyIEFFUZIMXNICCN-UHFFFAOYSA-N
XLogP3.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525992
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]propanamide
CID 19551939
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19517063
N-(2-amino-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)butanamide
CID 16786978
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552093
4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266958
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide
CID 19523555
2-[4,6-bis(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-[2-(difluoromethoxy)-4-fluorophenyl]acetamide
CID 19499396
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
N-(1,5-dimethylpyrazol-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557477

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 19557669) is N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(=O)Nc2ccc(F)cc2OC(F)F)n1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is IEFFUZIMXNICCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-9-7-10(2)21(20-9)6-5-14(22)19-12-4-3-11(16)8-13(12)23-15(17)18/h3-4,7-8,15H,5-6H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 327.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19557669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).