2-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol

C20H21F3N4O — CID 119114867

IUPAC2-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)n1
InChIInChI=1S/C20H21F3N4O/c1-12-4-7-19(28)18(25-12)11-24-10-15-5-6-16(9-17(15)20(21,22)23)27-14(3)8-13(2)26-27/h4-9,24,28H,10-11H2,1-3H3
InChIKeyCGAYWGDZUGUJMF-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.21
Rot. Bonds5

About 2-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol

2-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol (PubChem CID 119114867) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 2-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol
PubChem CID119114867
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name2-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)n1
InChIInChI=1S/C20H21F3N4O/c1-12-4-7-19(28)18(25-12)11-24-10-15-5-6-16(9-17(15)20(21,22)23)27-14(3)8-13(2)26-27/h4-9,24,28H,10-11H2,1-3H3
InChIKeyCGAYWGDZUGUJMF-UHFFFAOYSA-N
XLogP4.21
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol 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-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol (CID 119114867) is 2-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)n1.
What is the InChIKey of 2-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol?
The InChIKey is CGAYWGDZUGUJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-12-4-7-19(28)18(25-12)11-24-10-15-5-6-16(9-17(15)20(21,22)23)27-14(3)8-13(2)26-27/h4-9,24,28H,10-11H2,1-3H3.
What are the key properties of 2-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol?
2-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol has a molecular weight of 390.41 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 119114867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).