2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine

C9H7F3N4 — CID 64587019

IUPAC2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESCc1ccn(-c2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H7F3N4/c1-6-3-5-16(15-6)8-13-4-2-7(14-8)9(10,11)12/h2-5H,1H3
InChIKeyIXEAAEWPWFTAOV-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.99
Rot. Bonds1

About 2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine

2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine (PubChem CID 64587019) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine
PubChem CID64587019
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine
SMILESCc1ccn(-c2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H7F3N4/c1-6-3-5-16(15-6)8-13-4-2-7(14-8)9(10,11)12/h2-5H,1H3
InChIKeyIXEAAEWPWFTAOV-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine (CID 64587019) is 2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine is Cc1ccn(-c2nccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine?
The InChIKey is IXEAAEWPWFTAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c1-6-3-5-16(15-6)8-13-4-2-7(14-8)9(10,11)12/h2-5H,1H3.
What are the key properties of 2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine?
2-(3-methylpyrazol-1-yl)-4-(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 2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 64587019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).