4-chloro-6-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine

C9H6ClF3N4 — CID 106768574

IUPAC4-chloro-6-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCc1ccn(-c2cc(Cl)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H6ClF3N4/c1-5-2-3-17(16-5)7-4-6(10)14-8(15-7)9(11,12)13/h2-4H,1H3
InChIKeyHSAJJSLCEWFNJK-UHFFFAOYSA-N
MW262.62 g/mol
LogP2.64
Rot. Bonds1

About 4-chloro-6-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 106768574) has the molecular formula C9H6ClF3N4 and a molecular weight of 262.62 g/mol. Its IUPAC name is 4-chloro-6-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID106768574
Molecular FormulaC9H6ClF3N4
Molecular Weight262.62 g/mol
Exact Mass262.02
IUPAC Name4-chloro-6-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCc1ccn(-c2cc(Cl)nc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H6ClF3N4/c1-5-2-3-17(16-5)7-4-6(10)14-8(15-7)9(11,12)13/h2-4H,1H3
InChIKeyHSAJJSLCEWFNJK-UHFFFAOYSA-N
XLogP2.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine (CID 106768574) is 4-chloro-6-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine is Cc1ccn(-c2cc(Cl)nc(C(F)(F)F)n2)n1.
What is the InChIKey of 4-chloro-6-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is HSAJJSLCEWFNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4/c1-5-2-3-17(16-5)7-4-6(10)14-8(15-7)9(11,12)13/h2-4H,1H3.
What are the key properties of 4-chloro-6-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 262.62 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).