5-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H22F3N5O — CID 77098039

IUPAC5-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)(F)F)n2ncc(C(=O)NC(C)(C)CN3CCCC3)c2n1
InChIInChI=1S/C17H22F3N5O/c1-11-8-13(17(18,19)20)25-14(22-11)12(9-21-25)15(26)23-16(2,3)10-24-6-4-5-7-24/h8-9H,4-7,10H2,1-3H3,(H,23,26)
InChIKeySYXOYUKHPACWHL-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.66
Rot. Bonds4

About 5-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 77098039) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID77098039
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC Name5-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)(F)F)n2ncc(C(=O)NC(C)(C)CN3CCCC3)c2n1
InChIInChI=1S/C17H22F3N5O/c1-11-8-13(17(18,19)20)25-14(22-11)12(9-21-25)15(26)23-16(2,3)10-24-6-4-5-7-24/h8-9H,4-7,10H2,1-3H3,(H,23,26)
InChIKeySYXOYUKHPACWHL-UHFFFAOYSA-N
XLogP2.66
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 77098039) is 5-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C(F)(F)F)n2ncc(C(=O)NC(C)(C)CN3CCCC3)c2n1.
What is the InChIKey of 5-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SYXOYUKHPACWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-11-8-13(17(18,19)20)25-14(22-11)12(9-21-25)15(26)23-16(2,3)10-24-6-4-5-7-24/h8-9H,4-7,10H2,1-3H3,(H,23,26).
What are the key properties of 5-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 77098039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).