N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H16F3N7O — CID 44824602

IUPACN-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n(CC(C)CNC(=O)c2nc3ncccn3n2)n1
InChIInChI=1S/C15H16F3N7O/c1-9(8-25-11(15(16,17)18)6-10(2)22-25)7-20-13(26)12-21-14-19-4-3-5-24(14)23-12/h3-6,9H,7-8H2,1-2H3,(H,20,26)
InChIKeyOBDBUSYKBBYVDU-UHFFFAOYSA-N
MW367.34 g/mol
LogP1.71
Rot. Bonds5

About N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 44824602) has the molecular formula C15H16F3N7O and a molecular weight of 367.34 g/mol. Its IUPAC name is N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID44824602
Molecular FormulaC15H16F3N7O
Molecular Weight367.34 g/mol
Exact Mass367.14
IUPAC NameN-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n(CC(C)CNC(=O)c2nc3ncccn3n2)n1
InChIInChI=1S/C15H16F3N7O/c1-9(8-25-11(15(16,17)18)6-10(2)22-25)7-20-13(26)12-21-14-19-4-3-5-24(14)23-12/h3-6,9H,7-8H2,1-2H3,(H,20,26)
InChIKeyOBDBUSYKBBYVDU-UHFFFAOYSA-N
XLogP1.71
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 44824602) is N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n(CC(C)CNC(=O)c2nc3ncccn3n2)n1.
What is the InChIKey of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OBDBUSYKBBYVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N7O/c1-9(8-25-11(15(16,17)18)6-10(2)22-25)7-20-13(26)12-21-14-19-4-3-5-24(14)23-12/h3-6,9H,7-8H2,1-2H3,(H,20,26).
What are the key properties of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 367.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 44824602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).