N-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C16H17F3N4O — CID 56792778

IUPACN-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3[nH]nc(C(F)(F)F)c3C2)cc1C
InChIInChI=1S/C16H17F3N4O/c1-9-3-4-11(7-10(9)2)20-15(24)23-6-5-13-12(8-23)14(22-21-13)16(17,18)19/h3-4,7H,5-6,8H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyQPCDYJLPDSOJJO-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.64
Rot. Bonds1

About N-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 56792778) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID56792778
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC NameN-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)N2CCc3[nH]nc(C(F)(F)F)c3C2)cc1C
InChIInChI=1S/C16H17F3N4O/c1-9-3-4-11(7-10(9)2)20-15(24)23-6-5-13-12(8-23)14(22-21-13)16(17,18)19/h3-4,7H,5-6,8H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyQPCDYJLPDSOJJO-UHFFFAOYSA-N
XLogP3.64
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-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-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 56792778) is N-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1ccc(NC(=O)N2CCc3[nH]nc(C(F)(F)F)c3C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is QPCDYJLPDSOJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-9-3-4-11(7-10(9)2)20-15(24)23-6-5-13-12(8-23)14(22-21-13)16(17,18)19/h3-4,7H,5-6,8H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 56792778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).