8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one

C19H24F3N5OS — CID 130201494

IUPAC8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2cccs2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2
InChIInChI=1S/C19H24F3N5OS/c1-25(2)18(14-5-4-10-29-14)8-6-17(7-9-18)12-27(16(28)23-17)15-11-13(19(20,21)22)24-26(15)3/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,28)
InChIKeyHSEBUZJMILEOAA-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.80
Rot. Bonds3

About 8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201494) has the molecular formula C19H24F3N5OS and a molecular weight of 427.50 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201494
Molecular FormulaC19H24F3N5OS
Molecular Weight427.50 g/mol
Exact Mass427.17
IUPAC Name8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2cccs2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2
InChIInChI=1S/C19H24F3N5OS/c1-25(2)18(14-5-4-10-29-14)8-6-17(7-9-18)12-27(16(28)23-17)15-11-13(19(20,21)22)24-26(15)3/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,28)
InChIKeyHSEBUZJMILEOAA-UHFFFAOYSA-N
XLogP3.80
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one 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 8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one (CID 130201494) is 8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is HSEBUZJMILEOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5OS/c1-25(2)18(14-5-4-10-29-14)8-6-17(7-9-18)12-27(16(28)23-17)15-11-13(19(20,21)22)24-26(15)3/h4-5,10-11H,6-9,12H2,1-3H3,(H,23,28).
What are the key properties of 8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 427.50 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).