3-methyl-N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxamide

C22H24F3N5O — CID 148517274

IUPAC3-methyl-N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxamide
SMILESCc1nc(C(F)(F)F)c2n1C(C(=O)Nc1cnn(-c3ccccc3)c1C(C)C)CCC2
InChIInChI=1S/C22H24F3N5O/c1-13(2)19-16(12-26-30(19)15-8-5-4-6-9-15)28-21(31)18-11-7-10-17-20(22(23,24)25)27-14(3)29(17)18/h4-6,8-9,12-13,18H,7,10-11H2,1-3H3,(H,28,31)
InChIKeyMNRSKPYMVJUASP-UHFFFAOYSA-N
MW431.46 g/mol
LogP5.04
Rot. Bonds4

About 3-methyl-N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxamide

3-methyl-N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxamide (PubChem CID 148517274) has the molecular formula C22H24F3N5O and a molecular weight of 431.46 g/mol. Its IUPAC name is 3-methyl-N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxamide
PubChem CID148517274
Molecular FormulaC22H24F3N5O
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC Name3-methyl-N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxamide
SMILESCc1nc(C(F)(F)F)c2n1C(C(=O)Nc1cnn(-c3ccccc3)c1C(C)C)CCC2
InChIInChI=1S/C22H24F3N5O/c1-13(2)19-16(12-26-30(19)15-8-5-4-6-9-15)28-21(31)18-11-7-10-17-20(22(23,24)25)27-14(3)29(17)18/h4-6,8-9,12-13,18H,7,10-11H2,1-3H3,(H,28,31)
InChIKeyMNRSKPYMVJUASP-UHFFFAOYSA-N
XLogP5.04
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-1-methyl-6-oxopiperidine-2-carboxamide
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(4-oxocyclohexyl) 1-phenyl-5-propan-2-ylpyrazole-4-carboxylate
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N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
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5-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxamide (CID 148517274) is 3-methyl-N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxamide is Cc1nc(C(F)(F)F)c2n1C(C(=O)Nc1cnn(-c3ccccc3)c1C(C)C)CCC2.
What is the InChIKey of 3-methyl-N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxamide?
The InChIKey is MNRSKPYMVJUASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O/c1-13(2)19-16(12-26-30(19)15-8-5-4-6-9-15)28-21(31)18-11-7-10-17-20(22(23,24)25)27-14(3)29(17)18/h4-6,8-9,12-13,18H,7,10-11H2,1-3H3,(H,28,31).
What are the key properties of 3-methyl-N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxamide?
3-methyl-N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-phenyl-5-propan-2-ylpyrazol-4-yl)-1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 148517274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).