5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

C17H12F3N7O2 — CID 138557622

IUPAC5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C17H12F3N7O2/c1-8-10(14(28)24-16-21-7-22-25-16)15(29)27-13(23-8)11(9-5-3-2-4-6-9)12(26-27)17(18,19)20/h2-7,26H,1H3,(H2,21,22,24,25,28)
InChIKeyKHPZXURGNIJMJV-UHFFFAOYSA-N
MW403.32 g/mol
LogP2.39
Rot. Bonds3

About 5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 138557622) has the molecular formula C17H12F3N7O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID138557622
Molecular FormulaC17H12F3N7O2
Molecular Weight403.32 g/mol
Exact Mass403.10
IUPAC Name5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C17H12F3N7O2/c1-8-10(14(28)24-16-21-7-22-25-16)15(29)27-13(23-8)11(9-5-3-2-4-6-9)12(26-27)17(18,19)20/h2-7,26H,1H3,(H2,21,22,24,25,28)
InChIKeyKHPZXURGNIJMJV-UHFFFAOYSA-N
XLogP2.39
TPSA120.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 138557622) is 5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n2c(=O)c1C(=O)Nc1ncn[nH]1.
What is the InChIKey of 5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is KHPZXURGNIJMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N7O2/c1-8-10(14(28)24-16-21-7-22-25-16)15(29)27-13(23-8)11(9-5-3-2-4-6-9)12(26-27)17(18,19)20/h2-7,26H,1H3,(H2,21,22,24,25,28).
What are the key properties of 5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 403.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-oxo-3-phenyl-N-(1H-1,2,4-triazol-5-yl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 138557622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).