2-[methyl-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]amino]-1-phenylethanol

C19H20F3N3OS — CID 10000765

IUPAC2-[methyl-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]amino]-1-phenylethanol
SMILESCN(Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)CC(O)c1ccccc1
InChIInChI=1S/C19H20F3N3OS/c1-24(12-16(26)13-6-4-3-5-7-13)11-14-8-9-17(27-14)15-10-18(19(20,21)22)25(2)23-15/h3-10,16,26H,11-12H2,1-2H3
InChIKeyDYJGGRXWMSBAGR-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.33
Rot. Bonds6

About 2-[methyl-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]amino]-1-phenylethanol

2-[methyl-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]amino]-1-phenylethanol (PubChem CID 10000765) has the molecular formula C19H20F3N3OS and a molecular weight of 395.45 g/mol. Its IUPAC name is 2-[methyl-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[methyl-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]amino]-1-phenylethanol
PubChem CID10000765
Molecular FormulaC19H20F3N3OS
Molecular Weight395.45 g/mol
Exact Mass395.13
IUPAC Name2-[methyl-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]amino]-1-phenylethanol
SMILESCN(Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)CC(O)c1ccccc1
InChIInChI=1S/C19H20F3N3OS/c1-24(12-16(26)13-6-4-3-5-7-13)11-14-8-9-17(27-14)15-10-18(19(20,21)22)25(2)23-15/h3-10,16,26H,11-12H2,1-2H3
InChIKeyDYJGGRXWMSBAGR-UHFFFAOYSA-N
XLogP4.33
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]amino]-1-phenylethanol?
The IUPAC name of 2-[methyl-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]amino]-1-phenylethanol (CID 10000765) is 2-[methyl-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[methyl-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]amino]-1-phenylethanol?
The canonical SMILES for 2-[methyl-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]amino]-1-phenylethanol is CN(Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)CC(O)c1ccccc1.
What is the InChIKey of 2-[methyl-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]amino]-1-phenylethanol?
The InChIKey is DYJGGRXWMSBAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3OS/c1-24(12-16(26)13-6-4-3-5-7-13)11-14-8-9-17(27-14)15-10-18(19(20,21)22)25(2)23-15/h3-10,16,26H,11-12H2,1-2H3.
What are the key properties of 2-[methyl-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]amino]-1-phenylethanol?
2-[methyl-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]amino]-1-phenylethanol has a molecular weight of 395.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]amino]-1-phenylethanol is sourced from PubChem (CID 10000765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).