3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-3,5-dienyl)pyrazole-4-carboxamide

C20H25F2N3O — CID 70928059

IUPAC3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-3,5-dienyl)pyrazole-4-carboxamide
SMILESCC(C)C1C2CCC1C1C(NC(=O)c3cn(C)nc3C(F)F)=CC=CC21
InChIInChI=1S/C20H25F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-13,16-17,19H,7-8H2,1-3H3,(H,23,26)
InChIKeyQQSSTFKWPUARBP-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.09
Rot. Bonds4

About 3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-3,5-dienyl)pyrazole-4-carboxamide

3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-3,5-dienyl)pyrazole-4-carboxamide (PubChem CID 70928059) has the molecular formula C20H25F2N3O and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-3,5-dienyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-3,5-dienyl)pyrazole-4-carboxamide
PubChem CID70928059
Molecular FormulaC20H25F2N3O
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-3,5-dienyl)pyrazole-4-carboxamide
SMILESCC(C)C1C2CCC1C1C(NC(=O)c3cn(C)nc3C(F)F)=CC=CC21
InChIInChI=1S/C20H25F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-13,16-17,19H,7-8H2,1-3H3,(H,23,26)
InChIKeyQQSSTFKWPUARBP-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-3,5-dienyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-3,5-dienyl)pyrazole-4-carboxamide (CID 70928059) is 3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-3,5-dienyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-3,5-dienyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-3,5-dienyl)pyrazole-4-carboxamide is CC(C)C1C2CCC1C1C(NC(=O)c3cn(C)nc3C(F)F)=CC=CC21.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-3,5-dienyl)pyrazole-4-carboxamide?
The InChIKey is QQSSTFKWPUARBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-13,16-17,19H,7-8H2,1-3H3,(H,23,26).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-3,5-dienyl)pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-3,5-dienyl)pyrazole-4-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 4.09, 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-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-3,5-dienyl)pyrazole-4-carboxamide is sourced from PubChem (CID 70928059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).