1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

C16H19F3N4OS — CID 44821658

IUPAC1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1cc3c(C(F)(F)F)nn(C)c3s1)C2
InChIInChI=1S/C16H19F3N4OS/c1-22-9-3-4-10(22)6-8(5-9)20-14(24)12-7-11-13(16(17,18)19)21-23(2)15(11)25-12/h7-10H,3-6H2,1-2H3,(H,20,24)
InChIKeyRNIBYGPJJGVMJC-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.01
Rot. Bonds2

About 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide

1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 44821658) has the molecular formula C16H19F3N4OS and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID44821658
Molecular FormulaC16H19F3N4OS
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCN1C2CCC1CC(NC(=O)c1cc3c(C(F)(F)F)nn(C)c3s1)C2
InChIInChI=1S/C16H19F3N4OS/c1-22-9-3-4-10(22)6-8(5-9)20-14(24)12-7-11-13(16(17,18)19)21-23(2)15(11)25-12/h7-10H,3-6H2,1-2H3,(H,20,24)
InChIKeyRNIBYGPJJGVMJC-UHFFFAOYSA-N
XLogP3.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 44821658) is 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is CN1C2CCC1CC(NC(=O)c1cc3c(C(F)(F)F)nn(C)c3s1)C2.
What is the InChIKey of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is RNIBYGPJJGVMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4OS/c1-22-9-3-4-10(22)6-8(5-9)20-14(24)12-7-11-13(16(17,18)19)21-23(2)15(11)25-12/h7-10H,3-6H2,1-2H3,(H,20,24).
What are the key properties of 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide?
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 44821658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).