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

C12H10F3N7O — CID 138008822

IUPACN-[(2-methyltriazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCn1ncc(CNC(=O)c2cc3nccc(C(F)(F)F)n3n2)n1
InChIInChI=1S/C12H10F3N7O/c1-21-18-6-7(19-21)5-17-11(23)8-4-10-16-3-2-9(12(13,14)15)22(10)20-8/h2-4,6H,5H2,1H3,(H,17,23)
InChIKeyNEOSOBMTFBZLGL-UHFFFAOYSA-N
MW325.25 g/mol
LogP0.81
Rot. Bonds3

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

N-[(2-methyltriazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 138008822) has the molecular formula C12H10F3N7O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[(2-methyltriazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methyltriazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID138008822
Molecular FormulaC12H10F3N7O
Molecular Weight325.25 g/mol
Exact Mass325.09
IUPAC NameN-[(2-methyltriazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCn1ncc(CNC(=O)c2cc3nccc(C(F)(F)F)n3n2)n1
InChIInChI=1S/C12H10F3N7O/c1-21-18-6-7(19-21)5-17-11(23)8-4-10-16-3-2-9(12(13,14)15)22(10)20-8/h2-4,6H,5H2,1H3,(H,17,23)
InChIKeyNEOSOBMTFBZLGL-UHFFFAOYSA-N
XLogP0.81
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltriazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(2-methyltriazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 138008822) is N-[(2-methyltriazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(2-methyltriazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(2-methyltriazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cn1ncc(CNC(=O)c2cc3nccc(C(F)(F)F)n3n2)n1.
What is the InChIKey of N-[(2-methyltriazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NEOSOBMTFBZLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N7O/c1-21-18-6-7(19-21)5-17-11(23)8-4-10-16-3-2-9(12(13,14)15)22(10)20-8/h2-4,6H,5H2,1H3,(H,17,23).
What are the key properties of N-[(2-methyltriazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(2-methyltriazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltriazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 138008822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).