N-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide

C19H18ClF4N3O — CID 170103398

IUPACN-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
SMILESC=C(c1ccc(F)cc1Cl)C(C)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1
InChIInChI=1S/C19H18ClF4N3O/c1-9(13-7-4-11(21)8-14(13)20)10(2)27(12-5-6-12)19(28)15-16(17(22)23)25-26(3)18(15)24/h4,7-8,10,12,17H,1,5-6H2,2-3H3
InChIKeyHWRDINFRSJFOQG-UHFFFAOYSA-N
MW415.82 g/mol
LogP5.00
Rot. Bonds6

About N-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide

N-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide (PubChem CID 170103398) has the molecular formula C19H18ClF4N3O and a molecular weight of 415.82 g/mol. Its IUPAC name is N-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
PubChem CID170103398
Molecular FormulaC19H18ClF4N3O
Molecular Weight415.82 g/mol
Exact Mass415.11
IUPAC NameN-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
SMILESC=C(c1ccc(F)cc1Cl)C(C)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1
InChIInChI=1S/C19H18ClF4N3O/c1-9(13-7-4-11(21)8-14(13)20)10(2)27(12-5-6-12)19(28)15-16(17(22)23)25-26(3)18(15)24/h4,7-8,10,12,17H,1,5-6H2,2-3H3
InChIKeyHWRDINFRSJFOQG-UHFFFAOYSA-N
XLogP5.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.82
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trichlorophenyl)but-3-en-2-yl]pyrazole-4-carboxamide
CID 170103284
N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[3-(2,4,6-trimethylphenyl)but-3-en-2-yl]pyrazole-4-carboxamide
CID 170103364
N-[2-(5-chloro-2-fluorophenyl)prop-2-enyl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
CID 170103113
N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[2-(5-methyl-2-propan-2-ylphenyl)prop-2-enyl]pyrazole-4-carboxamide
CID 170103083
N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[2-(2-methyl-5-propan-2-ylphenyl)prop-2-enyl]pyrazole-4-carboxamide
CID 170103076
N-[1-(2,5-dichlorophenyl)ethyl]-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
CID 90008051
N-[(5-chloro-2-propan-2-ylphenyl)methyl]-N-cyclopropyl-5-fluoro-3-[fluoro(iodo)methyl]-1-methylpyrazole-4-carboxamide
CID 138495817
5-chloro-N-cyclopropyl-3-(difluoromethyl)-N-[[5-fluoro-2-(1-methylcyclopropyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 118117867
N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-[1-[3-thiophen-3-yl-5-(trifluoromethyl)-2-pyridinyl]propan-2-yl]pyrazole-4-carboxamide
CID 122625657
2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid
CID 119203567
2-chloro-4-fluoro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110604
2-[cyclopropyl-(5-fluoro-2-nitrobenzoyl)amino]propanoic acid
CID 122067083

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide (CID 170103398) is N-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide is C=C(c1ccc(F)cc1Cl)C(C)N(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1.
What is the InChIKey of N-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The InChIKey is HWRDINFRSJFOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF4N3O/c1-9(13-7-4-11(21)8-14(13)20)10(2)27(12-5-6-12)19(28)15-16(17(22)23)25-26(3)18(15)24/h4,7-8,10,12,17H,1,5-6H2,2-3H3.
What are the key properties of N-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
N-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide has a molecular weight of 415.82 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-4-fluorophenyl)but-3-en-2-yl]-N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 170103398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).