7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C22H24F3N5O — CID 135374953

IUPAC7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCC2CCNCC2)cnc2cc(-c3cccc(C(F)(F)F)c3)nn12
InChIInChI=1S/C22H24F3N5O/c1-14-18(21(31)27-10-7-15-5-8-26-9-6-15)13-28-20-12-19(29-30(14)20)16-3-2-4-17(11-16)22(23,24)25/h2-4,11-13,15,26H,5-10H2,1H3,(H,27,31)
InChIKeyGYIDGXCGNUBSAR-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.84
Rot. Bonds5

About 7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135374953) has the molecular formula C22H24F3N5O and a molecular weight of 431.46 g/mol. Its IUPAC name is 7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135374953
Molecular FormulaC22H24F3N5O
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC Name7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCC2CCNCC2)cnc2cc(-c3cccc(C(F)(F)F)c3)nn12
InChIInChI=1S/C22H24F3N5O/c1-14-18(21(31)27-10-7-15-5-8-26-9-6-15)13-28-20-12-19(29-30(14)20)16-3-2-4-17(11-16)22(23,24)25/h2-4,11-13,15,26H,5-10H2,1H3,(H,27,31)
InChIKeyGYIDGXCGNUBSAR-UHFFFAOYSA-N
XLogP3.84
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-(1-benzylpiperidin-4-yl)-2-hydroxyethyl]-7-methyl-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 162370359
7-methyl-2-phenyl-N-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5149768
N-cyclohexyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811833
7-methyl-N-(2-methylpropyl)-2-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 811831
2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 81479636
N-(2-pyrrolidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119537157
2-fluoro-N-(2-piperidin-4-ylethyl)benzamide
CID 54943614
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 168909107
1-(3-bromophenyl)-5-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide
CID 119535088
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
CID 66883790
N-[(2S)-2-ethylhexyl]-7-methyl-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 92769342

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135374953) is 7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCC2CCNCC2)cnc2cc(-c3cccc(C(F)(F)F)c3)nn12.
What is the InChIKey of 7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is GYIDGXCGNUBSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O/c1-14-18(21(31)27-10-7-15-5-8-26-9-6-15)13-28-20-12-19(29-30(14)20)16-3-2-4-17(11-16)22(23,24)25/h2-4,11-13,15,26H,5-10H2,1H3,(H,27,31).
What are the key properties of 7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-piperidin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135374953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).