5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine

C9H7F3N4 — CID 90328794

IUPAC5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCc1ccn(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C9H7F3N4/c1-6-2-3-16(15-6)7-4-13-8(14-5-7)9(10,11)12/h2-5H,1H3
InChIKeyJNXRVMYABUJGOM-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.99
Rot. Bonds1

About 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine

5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 90328794) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID90328794
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCc1ccn(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C9H7F3N4/c1-6-2-3-16(15-6)7-4-13-8(14-5-7)9(10,11)12/h2-5H,1H3
InChIKeyJNXRVMYABUJGOM-UHFFFAOYSA-N
XLogP1.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine 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 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine (CID 90328794) is 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine is Cc1ccn(-c2cnc(C(F)(F)F)nc2)n1.
What is the InChIKey of 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is JNXRVMYABUJGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c1-6-2-3-16(15-6)7-4-13-8(14-5-7)9(10,11)12/h2-5H,1H3.
What are the key properties of 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 228.18 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 90328794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).