3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide

C20H23F2N3O — CID 163549892

IUPAC3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide
SMILESCc1cccc2c1C1(NC(=O)c3cn(C)nc3C(F)F)CCC2C1(C)C
InChIInChI=1S/C20H23F2N3O/c1-11-6-5-7-12-14-8-9-20(15(11)12,19(14,2)3)23-18(26)13-10-25(4)24-16(13)17(21)22/h5-7,10,14,17H,8-9H2,1-4H3,(H,23,26)
InChIKeyFIETUOGCXTZTQV-UHFFFAOYSA-N
MW359.42 g/mol
LogP4.21
Rot. Bonds3

About 3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide (PubChem CID 163549892) has the molecular formula C20H23F2N3O and a molecular weight of 359.42 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide
PubChem CID163549892
Molecular FormulaC20H23F2N3O
Molecular Weight359.42 g/mol
Exact Mass359.18
IUPAC Name3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide
SMILESCc1cccc2c1C1(NC(=O)c3cn(C)nc3C(F)F)CCC2C1(C)C
InChIInChI=1S/C20H23F2N3O/c1-11-6-5-7-12-14-8-9-20(15(11)12,19(14,2)3)23-18(26)13-10-25(4)24-16(13)17(21)22/h5-7,10,14,17H,8-9H2,1-4H3,(H,23,26)
InChIKeyFIETUOGCXTZTQV-UHFFFAOYSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-N-[(1S)-11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1-methylpyrazole-4-carboxamide
CID 162424065
3-(difluoromethyl)-1-methyl-N-(4,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide
CID 163640943
3-(difluoromethyl)-N-(3-methoxy-11,11-dimethyl-1-tricyclo[6.2.1.02,7]undeca-2(7),5-dienyl)-1-methylpyrazole-4-carboxamide
CID 146645575
methyl 1-[[3-(difluoromethyl)-1-methylpyrazole-4-carbonyl]amino]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate
CID 146646257
N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 147266616
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
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-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 11493659
3-(difluoromethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 167378519
[(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

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide (CID 163549892) is 3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide is Cc1cccc2c1C1(NC(=O)c3cn(C)nc3C(F)F)CCC2C1(C)C.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide?
The InChIKey is FIETUOGCXTZTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O/c1-11-6-5-7-12-14-8-9-20(15(11)12,19(14,2)3)23-18(26)13-10-25(4)24-16(13)17(21)22/h5-7,10,14,17H,8-9H2,1-4H3,(H,23,26).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide has a molecular weight of 359.42 g/mol, XLogP of 4.21, 3 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-(3,11,11-trimethyl-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)pyrazole-4-carboxamide is sourced from PubChem (CID 163549892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).