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

C17H19F2N3O — CID 71260887

IUPAC3-(difluoromethyl)-1-methyl-N-(3-tricyclo[6.2.1.02,7]undeca-2,6-dienyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2=C3C(=CCC2)C2CCC3C2)c(C(F)F)n1
InChIInChI=1S/C17H19F2N3O/c1-22-8-12(15(21-22)16(18)19)17(23)20-13-4-2-3-11-9-5-6-10(7-9)14(11)13/h3,8-10,16H,2,4-7H2,1H3,(H,20,23)
InChIKeyBSKKNVGECBQGSF-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.49
Rot. Bonds3

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

3-(difluoromethyl)-1-methyl-N-(3-tricyclo[6.2.1.02,7]undeca-2,6-dienyl)pyrazole-4-carboxamide (PubChem CID 71260887) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-N-(3-tricyclo[6.2.1.02,7]undeca-2,6-dienyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-N-(3-tricyclo[6.2.1.02,7]undeca-2,6-dienyl)pyrazole-4-carboxamide
PubChem CID71260887
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name3-(difluoromethyl)-1-methyl-N-(3-tricyclo[6.2.1.02,7]undeca-2,6-dienyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2=C3C(=CCC2)C2CCC3C2)c(C(F)F)n1
InChIInChI=1S/C17H19F2N3O/c1-22-8-12(15(21-22)16(18)19)17(23)20-13-4-2-3-11-9-5-6-10(7-9)14(11)13/h3,8-10,16H,2,4-7H2,1H3,(H,20,23)
InChIKeyBSKKNVGECBQGSF-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(difluoromethyl)-1-methyl-N-(3-tricyclo[6.2.1.02,7]undeca-2,6-dienyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-N-(3-tricyclo[6.2.1.02,7]undeca-2,6-dienyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-1-methyl-N-(3-tricyclo[6.2.1.02,7]undeca-2,6-dienyl)pyrazole-4-carboxamide (CID 71260887) is 3-(difluoromethyl)-1-methyl-N-(3-tricyclo[6.2.1.02,7]undeca-2,6-dienyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-N-(3-tricyclo[6.2.1.02,7]undeca-2,6-dienyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-N-(3-tricyclo[6.2.1.02,7]undeca-2,6-dienyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NC2=C3C(=CCC2)C2CCC3C2)c(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-N-(3-tricyclo[6.2.1.02,7]undeca-2,6-dienyl)pyrazole-4-carboxamide?
The InChIKey is BSKKNVGECBQGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-22-8-12(15(21-22)16(18)19)17(23)20-13-4-2-3-11-9-5-6-10(7-9)14(11)13/h3,8-10,16H,2,4-7H2,1H3,(H,20,23).
What are the key properties of 3-(difluoromethyl)-1-methyl-N-(3-tricyclo[6.2.1.02,7]undeca-2,6-dienyl)pyrazole-4-carboxamide?
3-(difluoromethyl)-1-methyl-N-(3-tricyclo[6.2.1.02,7]undeca-2,6-dienyl)pyrazole-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.49, 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-tricyclo[6.2.1.02,7]undeca-2,6-dienyl)pyrazole-4-carboxamide is sourced from PubChem (CID 71260887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).