3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide

C20H23F2N3O — CID 150122085

IUPAC3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide
SMILESCC(C)C1C2CCc3c(NC(=O)c4cn(C)nc4C(F)F)cccc3C21
InChIInChI=1S/C20H23F2N3O/c1-10(2)16-13-8-7-11-12(17(13)16)5-4-6-15(11)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,13,16-17,19H,7-8H2,1-3H3,(H,23,26)
InChIKeyDZLNLEQDTLZYAB-UHFFFAOYSA-N
MW359.42 g/mol
LogP4.54
Rot. Bonds4

About 3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide (PubChem CID 150122085) has the molecular formula C20H23F2N3O and a molecular weight of 359.42 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide
PubChem CID150122085
Molecular FormulaC20H23F2N3O
Molecular Weight359.42 g/mol
Exact Mass359.18
IUPAC Name3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide
SMILESCC(C)C1C2CCc3c(NC(=O)c4cn(C)nc4C(F)F)cccc3C21
InChIInChI=1S/C20H23F2N3O/c1-10(2)16-13-8-7-11-12(17(13)16)5-4-6-15(11)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,13,16-17,19H,7-8H2,1-3H3,(H,23,26)
InChIKeyDZLNLEQDTLZYAB-UHFFFAOYSA-N
XLogP4.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[6-(dichloromethylidene)-5-methyl-7,8-dihydro-5H-naphthalen-1-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 141354776
cyclopropane;N-(2-cyclopropylphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide;ethane
CID 143209520
N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 11493659
1-methyl-3-propan-2-yl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide
CID 59403645
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-[(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
N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 147266616
N-(8-butyl-7-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 143769363
[(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-(1H-cyclopropa[a]naphthalen-4-yl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 90333659
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

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 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) is 3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide is CC(C)C1C2CCc3c(NC(=O)c4cn(C)nc4C(F)F)cccc3C21.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide?
The InChIKey is DZLNLEQDTLZYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O/c1-10(2)16-13-8-7-11-12(17(13)16)5-4-6-15(11)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,13,16-17,19H,7-8H2,1-3H3,(H,23,26).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide has a molecular weight of 359.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-N-(1-propan-2-yl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 150122085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).