N-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide

C14H12Cl2F3N3O — CID 90008051

IUPACN-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1c(C(F)F)nn(C)c1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2F3N3O/c1-6(8-5-7(15)3-4-9(8)16)20-14(23)10-11(12(17)18)21-22(2)13(10)19/h3-6,12H,1-2H3,(H,20,23)
InChIKeyFCWZVWPYKVNFDP-UHFFFAOYSA-N
MW366.17 g/mol
LogP4.29
Rot. Bonds4

About N-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide

N-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide (PubChem CID 90008051) has the molecular formula C14H12Cl2F3N3O and a molecular weight of 366.17 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
PubChem CID90008051
Molecular FormulaC14H12Cl2F3N3O
Molecular Weight366.17 g/mol
Exact Mass365.03
IUPAC NameN-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1c(C(F)F)nn(C)c1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2F3N3O/c1-6(8-5-7(15)3-4-9(8)16)20-14(23)10-11(12(17)18)21-22(2)13(10)19/h3-6,12H,1-2H3,(H,20,23)
InChIKeyFCWZVWPYKVNFDP-UHFFFAOYSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.17
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[[5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]ethyl]benzoic acid
CID 175202761
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51150886
2-[4-[[(1S)-1-(2,5-dichlorophenyl)ethyl]carbamoyl]phenyl]acetic acid
CID 166399623
N-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide
CID 170103284
3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-(3-methylphenyl)butyl]pyrazole-4-carboxamide
CID 151646979
N-[2-(5-chloro-2-fluorophenyl)prop-2-enyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
CID 170103113
4-[1-[[3-(difluoromethyl)-5-[4-fluoro-3-(1-hydroxyethyl)phenoxy]-1-methylpyrazole-4-carbonyl]amino]ethyl]benzoic acid
CID 167297361
4-[(1S)-1-[[5-(3-chloro-4-methylphenoxy)-3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]ethyl]benzoic acid
CID 162565796
N-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
CID 170103398
N-[(5-chloro-2-propan-2-ylphenyl)methyl]-N-cyclopropyl-5-fluoro-3-[fluoro(iodo)methyl]-1-methylpyrazole-4-carboxamide
CID 138495817
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626
N-[1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 25102833

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide (CID 90008051) is N-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide is CC(NC(=O)c1c(C(F)F)nn(C)c1F)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The InChIKey is FCWZVWPYKVNFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F3N3O/c1-6(8-5-7(15)3-4-9(8)16)20-14(23)10-11(12(17)18)21-22(2)13(10)19/h3-6,12H,1-2H3,(H,20,23).
What are the key properties of N-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
N-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide has a molecular weight of 366.17 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 90008051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).