N-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-4-carboxamide

C17H15F2N3O — CID 68790275

IUPACN-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc3c2C2CCC3C2=C(F)F)cn1
InChIInChI=1S/C17H15F2N3O/c1-22-8-9(7-20-22)17(23)21-13-4-2-3-10-11-5-6-12(14(10)13)15(11)16(18)19/h2-4,7-8,11-12H,5-6H2,1H3,(H,21,23)
InChIKeyYEQWKAJZYZQXEB-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.80
Rot. Bonds2

About N-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-4-carboxamide

N-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-4-carboxamide (PubChem CID 68790275) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-4-carboxamide
PubChem CID68790275
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC NameN-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2cccc3c2C2CCC3C2=C(F)F)cn1
InChIInChI=1S/C17H15F2N3O/c1-22-8-9(7-20-22)17(23)21-13-4-2-3-10-11-5-6-12(14(10)13)15(11)16(18)19/h2-4,7-8,11-12H,5-6H2,1H3,(H,21,23)
InChIKeyYEQWKAJZYZQXEB-UHFFFAOYSA-N
XLogP3.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-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 N-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-4-carboxamide (CID 68790275) is N-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2cccc3c2C2CCC3C2=C(F)F)cn1.
What is the InChIKey of N-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is YEQWKAJZYZQXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-22-8-9(7-20-22)17(23)21-13-4-2-3-10-11-5-6-12(14(10)13)15(11)16(18)19/h2-4,7-8,11-12H,5-6H2,1H3,(H,21,23).
What are the key properties of N-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-4-carboxamide?
N-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 315.32 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[11-(difluoromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 68790275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).