N-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

C17H13F2N3O — CID 90333659

IUPACN-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc3c4c(ccc23)C4)c(C(F)F)n1
InChIInChI=1S/C17H13F2N3O/c1-22-8-13(15(21-22)16(18)19)17(23)20-14-4-2-3-10-11(14)6-5-9-7-12(9)10/h2-6,8,16H,7H2,1H3,(H,20,23)
InChIKeyHKWHRUOQPKWZSI-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.67
Rot. Bonds3

About N-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide

N-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 90333659) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is N-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
PubChem CID90333659
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC NameN-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc3c4c(ccc23)C4)c(C(F)F)n1
InChIInChI=1S/C17H13F2N3O/c1-22-8-13(15(21-22)16(18)19)17(23)20-14-4-2-3-10-11(14)6-5-9-7-12(9)10/h2-6,8,16H,7H2,1H3,(H,20,23)
InChIKeyHKWHRUOQPKWZSI-UHFFFAOYSA-N
XLogP3.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-1-methyl-N-(5-propan-2-yloxynaphthalen-1-yl)pyrazole-4-carboxamide
CID 162689526
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-(8-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide
CID 162568236
3-(difluoromethyl)-N-[2-[2-(fluoromethyl)phenyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 68910253
3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 66920609
cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane
CID 143209520
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
N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 147266616
3-(difluoromethyl)-1-methyl-N-(3-methyl-2-propan-2-yl-8-tricyclo[5.4.0.02,6]undeca-1(7),8,10-trienyl)pyrazole-4-carboxamide
CID 163486298
N-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 141354776
3-(difluoromethyl)-1-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide
CID 59559816

Frequently Asked Questions

What is the IUPAC name of N-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide (CID 90333659) is N-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2cccc3c4c(ccc23)C4)c(C(F)F)n1.
What is the InChIKey of N-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is HKWHRUOQPKWZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c1-22-8-13(15(21-22)16(18)19)17(23)20-14-4-2-3-10-11(14)6-5-9-7-12(9)10/h2-6,8,16H,7H2,1H3,(H,20,23).
What are the key properties of N-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide?
N-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 313.31 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 90333659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).