N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C21H29F3N6O2 — CID 60569232

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)NCC(C)(C)N3CC(C)CC(C)C3)c2C(F)(F)F)nn1
InChIInChI=1S/C21H29F3N6O2/c1-13-8-14(2)11-29(10-13)20(3,4)12-25-19(31)15-9-26-30(18(15)21(22,23)24)16-6-7-17(32-5)28-27-16/h6-7,9,13-14H,8,10-12H2,1-5H3,(H,25,31)
InChIKeyRFKZPVFFDPXCOU-UHFFFAOYSA-N
MW454.50 g/mol
LogP3.18
Rot. Bonds6

About N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 60569232) has the molecular formula C21H29F3N6O2 and a molecular weight of 454.50 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID60569232
Molecular FormulaC21H29F3N6O2
Molecular Weight454.50 g/mol
Exact Mass454.23
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)NCC(C)(C)N3CC(C)CC(C)C3)c2C(F)(F)F)nn1
InChIInChI=1S/C21H29F3N6O2/c1-13-8-14(2)11-29(10-13)20(3,4)12-25-19(31)15-9-26-30(18(15)21(22,23)24)16-6-7-17(32-5)28-27-16/h6-7,9,13-14H,8,10-12H2,1-5H3,(H,25,31)
InChIKeyRFKZPVFFDPXCOU-UHFFFAOYSA-N
XLogP3.18
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)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

Related Compounds

1-(6-methoxypyridazin-3-yl)-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46634730
1-(6-methoxypyridazin-3-yl)-N-pentyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 36701571
methyl 6-[[1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]hexanoate
CID 46491304
1-(6-methoxypyridazin-3-yl)-N-(3-propan-2-yloxypropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55555860
N-[[4-(ethoxymethyl)phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 37357760
N-[3-(2-fluorophenoxy)propyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39489825
1-(6-methoxypyridazin-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46407497
N-[(3-bromo-5-fluorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55907787
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55544999
1-(6-methoxypyridazin-3-yl)-N-(4-phenylbutan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46418578
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56578128
N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 95247386

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 60569232) is N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ccc(-n2ncc(C(=O)NCC(C)(C)N3CC(C)CC(C)C3)c2C(F)(F)F)nn1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is RFKZPVFFDPXCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3N6O2/c1-13-8-14(2)11-29(10-13)20(3,4)12-25-19(31)15-9-26-30(18(15)21(22,23)24)16-6-7-17(32-5)28-27-16/h6-7,9,13-14H,8,10-12H2,1-5H3,(H,25,31).
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 454.50 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 60569232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).