2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide

C15H19F3N6O2 — CID 70252612

IUPAC2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide
SMILESCN1CC(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)C(C(N)=O)=N1
InChIInChI=1S/C15H19F3N6O2/c1-23-6-9(12(21-23)14(19)26)20-11(25)7-24-10-5-3-2-4-8(10)13(22-24)15(16,17)18/h9H,2-7H2,1H3,(H2,19,26)(H,20,25)
InChIKeyAFUNAPJTABXALP-UHFFFAOYSA-N
MW372.35 g/mol
LogP0.05
Rot. Bonds4

About 2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide

2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide (PubChem CID 70252612) has the molecular formula C15H19F3N6O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide
PubChem CID70252612
Molecular FormulaC15H19F3N6O2
Molecular Weight372.35 g/mol
Exact Mass372.15
IUPAC Name2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide
SMILESCN1CC(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)C(C(N)=O)=N1
InChIInChI=1S/C15H19F3N6O2/c1-23-6-9(12(21-23)14(19)26)20-11(25)7-24-10-5-3-2-4-8(10)13(22-24)15(16,17)18/h9H,2-7H2,1H3,(H2,19,26)(H,20,25)
InChIKeyAFUNAPJTABXALP-UHFFFAOYSA-N
XLogP0.05
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-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 2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide (CID 70252612) is 2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide is CN1CC(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)C(C(N)=O)=N1.
What is the InChIKey of 2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is AFUNAPJTABXALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O2/c1-23-6-9(12(21-23)14(19)26)20-11(25)7-24-10-5-3-2-4-8(10)13(22-24)15(16,17)18/h9H,2-7H2,1H3,(H2,19,26)(H,20,25).
What are the key properties of 2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide?
2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 70252612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).