5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H10ClF3N4O — CID 2286136

IUPAC5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(N)=O
InChIInChI=1S/C15H10ClF3N4O/c1-7-12(13(20)24)14-21-10(8-2-4-9(16)5-3-8)6-11(15(17,18)19)23(14)22-7/h2-6H,1H3,(H2,20,24)
InChIKeyODYSOZZHHDNPFP-UHFFFAOYSA-N
MW354.72 g/mol
LogP3.48
Rot. Bonds2

About 5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2286136) has the molecular formula C15H10ClF3N4O and a molecular weight of 354.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2286136
Molecular FormulaC15H10ClF3N4O
Molecular Weight354.72 g/mol
Exact Mass354.05
IUPAC Name5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(N)=O
InChIInChI=1S/C15H10ClF3N4O/c1-7-12(13(20)24)14-21-10(8-2-4-9(16)5-3-8)6-11(15(17,18)19)23(14)22-7/h2-6H,1H3,(H2,20,24)
InChIKeyODYSOZZHHDNPFP-UHFFFAOYSA-N
XLogP3.48
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2286136) is 5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(N)=O.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ODYSOZZHHDNPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O/c1-7-12(13(20)24)14-21-10(8-2-4-9(16)5-3-8)6-11(15(17,18)19)23(14)22-7/h2-6H,1H3,(H2,20,24).
What are the key properties of 5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 354.72 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2286136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).