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

C15H16F3N7O — CID 51855060

IUPACN-[(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1C[C@@H](C)CNC(=O)c1nc2ncccn2n1
InChIInChI=1S/C15H16F3N7O/c1-9(8-25-10(2)6-11(22-25)15(16,17)18)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)/t9-/m0/s1
InChIKeyMWLAIAMYNIEOLT-VIFPVBQESA-N
MW367.34 g/mol
LogP1.71
Rot. Bonds5

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

N-[(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 51855060) has the molecular formula C15H16F3N7O and a molecular weight of 367.34 g/mol. Its IUPAC name is N-[(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID51855060
Molecular FormulaC15H16F3N7O
Molecular Weight367.34 g/mol
Exact Mass367.14
IUPAC NameN-[(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1C[C@@H](C)CNC(=O)c1nc2ncccn2n1
InChIInChI=1S/C15H16F3N7O/c1-9(8-25-10(2)6-11(22-25)15(16,17)18)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)/t9-/m0/s1
InChIKeyMWLAIAMYNIEOLT-VIFPVBQESA-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

Analyze N-[(2S)-2-methyl-3-[5-methyl-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-[(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 51855060) is N-[(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)nn1C[C@@H](C)CNC(=O)c1nc2ncccn2n1.
What is the InChIKey of N-[(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MWLAIAMYNIEOLT-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16F3N7O/c1-9(8-25-10(2)6-11(22-25)15(16,17)18)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)/t9-/m0/s1.
What are the key properties of N-[(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(2S)-2-methyl-3-[5-methyl-3-(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-[(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 51855060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).