5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide

C22H19F3N6OS — CID 45167126

IUPAC5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NC(c2cccnc2)C(F)(F)F)cnn1-c1nccc(-c2cccs2)n1
InChIInChI=1S/C22H19F3N6OS/c1-13(2)18-15(20(32)30-19(22(23,24)25)14-5-3-8-26-11-14)12-28-31(18)21-27-9-7-16(29-21)17-6-4-10-33-17/h3-13,19H,1-2H3,(H,30,32)
InChIKeyLHKFXEQABXPGEU-UHFFFAOYSA-N
MW472.50 g/mol
LogP4.94
Rot. Bonds6

About 5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide

5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide (PubChem CID 45167126) has the molecular formula C22H19F3N6OS and a molecular weight of 472.50 g/mol. Its IUPAC name is 5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide
PubChem CID45167126
Molecular FormulaC22H19F3N6OS
Molecular Weight472.50 g/mol
Exact Mass472.13
IUPAC Name5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NC(c2cccnc2)C(F)(F)F)cnn1-c1nccc(-c2cccs2)n1
InChIInChI=1S/C22H19F3N6OS/c1-13(2)18-15(20(32)30-19(22(23,24)25)14-5-3-8-26-11-14)12-28-31(18)21-27-9-7-16(29-21)17-6-4-10-33-17/h3-13,19H,1-2H3,(H,30,32)
InChIKeyLHKFXEQABXPGEU-UHFFFAOYSA-N
XLogP4.94
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide with MolForge

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Related Compounds

Indiplon
CID 6450813
Lorediplon
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US10100058, Example 229
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US10100058, Example 225
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US10100058, Example 228
CID 134540119
US10100058, Example 275
CID 134539929
5-butyl-N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 72165163
5-butyl-N-[(3,5-dimethylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 72165165
N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide
CID 127036564

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide (CID 45167126) is 5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide is CC(C)c1c(C(=O)NC(c2cccnc2)C(F)(F)F)cnn1-c1nccc(-c2cccs2)n1.
What is the InChIKey of 5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide?
The InChIKey is LHKFXEQABXPGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6OS/c1-13(2)18-15(20(32)30-19(22(23,24)25)14-5-3-8-26-11-14)12-28-31(18)21-27-9-7-16(29-21)17-6-4-10-33-17/h3-13,19H,1-2H3,(H,30,32).
What are the key properties of 5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide?
5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide has a molecular weight of 472.50 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 45167126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).