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

C14H14F3N7O — CID 44824614

IUPACN-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(CNC(=O)c1nc2ncccn2n1)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N7O/c1-9(8-23-6-3-10(21-23)14(15,16)17)7-19-12(25)11-20-13-18-4-2-5-24(13)22-11/h2-6,9H,7-8H2,1H3,(H,19,25)
InChIKeySHMRYEJJTLIFIH-UHFFFAOYSA-N
MW353.31 g/mol
LogP1.41
Rot. Bonds5

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

N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 44824614) has the molecular formula C14H14F3N7O and a molecular weight of 353.31 g/mol. Its IUPAC name is N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID44824614
Molecular FormulaC14H14F3N7O
Molecular Weight353.31 g/mol
Exact Mass353.12
IUPAC NameN-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(CNC(=O)c1nc2ncccn2n1)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N7O/c1-9(8-23-6-3-10(21-23)14(15,16)17)7-19-12(25)11-20-13-18-4-2-5-24(13)22-11/h2-6,9H,7-8H2,1H3,(H,19,25)
InChIKeySHMRYEJJTLIFIH-UHFFFAOYSA-N
XLogP1.41
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 44824614) is N-[2-methyl-3-[3-(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-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CC(CNC(=O)c1nc2ncccn2n1)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is SHMRYEJJTLIFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N7O/c1-9(8-23-6-3-10(21-23)14(15,16)17)7-19-12(25)11-20-13-18-4-2-5-24(13)22-11/h2-6,9H,7-8H2,1H3,(H,19,25).
What are the key properties of N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 353.31 g/mol, XLogP of 1.41, 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-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 44824614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).