5-(4-methylphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H17F3N4O — CID 2871232

IUPAC5-(4-methylphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC(C)C)cc3n2)cc1
InChIInChI=1S/C18H17F3N4O/c1-10(2)22-17(26)14-9-16-23-13(12-6-4-11(3)5-7-12)8-15(18(19,20)21)25(16)24-14/h4-10H,1-3H3,(H,22,26)
InChIKeyUHVPQHOYTVUNIN-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.86
Rot. Bonds3

About 5-(4-methylphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(4-methylphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2871232) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2871232
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name5-(4-methylphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC(C)C)cc3n2)cc1
InChIInChI=1S/C18H17F3N4O/c1-10(2)22-17(26)14-9-16-23-13(12-6-4-11(3)5-7-12)8-15(18(19,20)21)25(16)24-14/h4-10H,1-3H3,(H,22,26)
InChIKeyUHVPQHOYTVUNIN-UHFFFAOYSA-N
XLogP3.86
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2871232) is 5-(4-methylphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC(C)C)cc3n2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UHVPQHOYTVUNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c1-10(2)22-17(26)14-9-16-23-13(12-6-4-11(3)5-7-12)8-15(18(19,20)21)25(16)24-14/h4-10H,1-3H3,(H,22,26).
What are the key properties of 5-(4-methylphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(4-methylphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2871232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).