N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

C18H17Cl2F2N3O — CID 141354776

IUPACN-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCC1C(=C(Cl)Cl)CCc2c(NC(=O)c3cn(C)nc3C(F)F)cccc21
InChIInChI=1S/C18H17Cl2F2N3O/c1-9-10-4-3-5-14(12(10)7-6-11(9)16(19)20)23-18(26)13-8-25(2)24-15(13)17(21)22/h3-5,8-9,17H,6-7H2,1-2H3,(H,23,26)
InChIKeyGDXFZSTWWGQNCT-UHFFFAOYSA-N
MW400.26 g/mol
LogP5.35
Rot. Bonds3

About N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 141354776) has the molecular formula C18H17Cl2F2N3O and a molecular weight of 400.26 g/mol. Its IUPAC name is N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID141354776
Molecular FormulaC18H17Cl2F2N3O
Molecular Weight400.26 g/mol
Exact Mass399.07
IUPAC NameN-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCC1C(=C(Cl)Cl)CCc2c(NC(=O)c3cn(C)nc3C(F)F)cccc21
InChIInChI=1S/C18H17Cl2F2N3O/c1-9-10-4-3-5-14(12(10)7-6-11(9)16(19)20)23-18(26)13-8-25(2)24-15(13)17(21)22/h3-5,8-9,17H,6-7H2,1-2H3,(H,23,26)
InChIKeyGDXFZSTWWGQNCT-UHFFFAOYSA-N
XLogP5.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.26
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide
CID 150122085
N-[(1S,8R)-11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 51347655
cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane
CID 143209520
[(Z)-chloro-[3-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]-11-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienylidene]methyl]chloranium
CID 147725973
N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 11493659
3-(difluoromethyl)-1-methyl-N-[(1R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]pyrazole-4-carboxamide
CID 71206075
3-(difluoromethyl)-1-methyl-N-(8-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide
CID 162568236
N-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 90333659
N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 147266616
N-(2-carbamoylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 174988541
N-(3-tert-butyl-2-fluorophenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 146322613
3-(difluoromethyl)-1-methyl-N-(1,1,2-trimethyl-7-methylsulfanyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
CID 175346427

Frequently Asked Questions

What is the IUPAC name of N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 141354776) is N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is CC1C(=C(Cl)Cl)CCc2c(NC(=O)c3cn(C)nc3C(F)F)cccc21.
What is the InChIKey of N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is GDXFZSTWWGQNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2F2N3O/c1-9-10-4-3-5-14(12(10)7-6-11(9)16(19)20)23-18(26)13-8-25(2)24-15(13)17(21)22/h3-5,8-9,17H,6-7H2,1-2H3,(H,23,26).
What are the key properties of N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 400.26 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 141354776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).