N-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide

C15H15F3N8O — CID 30882173

IUPACN-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide
SMILESCC(C)n1cc(NC(=O)Cn2cc(-c3nccc(C(F)(F)F)n3)cn2)nn1
InChIInChI=1S/C15H15F3N8O/c1-9(2)26-7-12(23-24-26)22-13(27)8-25-6-10(5-20-25)14-19-4-3-11(21-14)15(16,17)18/h3-7,9H,8H2,1-2H3,(H,22,27)
InChIKeySQCBYQBUVAQGNU-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.17
Rot. Bonds5

About N-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide

N-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide (PubChem CID 30882173) has the molecular formula C15H15F3N8O and a molecular weight of 380.33 g/mol. Its IUPAC name is N-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide
PubChem CID30882173
Molecular FormulaC15H15F3N8O
Molecular Weight380.33 g/mol
Exact Mass380.13
IUPAC NameN-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide
SMILESCC(C)n1cc(NC(=O)Cn2cc(-c3nccc(C(F)(F)F)n3)cn2)nn1
InChIInChI=1S/C15H15F3N8O/c1-9(2)26-7-12(23-24-26)22-13(27)8-25-6-10(5-20-25)14-19-4-3-11(21-14)15(16,17)18/h3-7,9H,8H2,1-2H3,(H,22,27)
InChIKeySQCBYQBUVAQGNU-UHFFFAOYSA-N
XLogP2.17
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide 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-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide (CID 30882173) is N-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide is CC(C)n1cc(NC(=O)Cn2cc(-c3nccc(C(F)(F)F)n3)cn2)nn1.
What is the InChIKey of N-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
The InChIKey is SQCBYQBUVAQGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N8O/c1-9(2)26-7-12(23-24-26)22-13(27)8-25-6-10(5-20-25)14-19-4-3-11(21-14)15(16,17)18/h3-7,9H,8H2,1-2H3,(H,22,27).
What are the key properties of N-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide?
N-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide has a molecular weight of 380.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-yltriazol-4-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 30882173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).