2-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C8H4ClF3N4 — CID 21267743

IUPAC2-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESFC(F)(F)c1ccn(-c2ccnc(Cl)n2)n1
InChIInChI=1S/C8H4ClF3N4/c9-7-13-3-1-6(14-7)16-4-2-5(15-16)8(10,11)12/h1-4H
InChIKeySBAVEJIAXURCTB-UHFFFAOYSA-N
MW248.60 g/mol
LogP2.33
Rot. Bonds1

About 2-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

2-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 21267743) has the molecular formula C8H4ClF3N4 and a molecular weight of 248.60 g/mol. Its IUPAC name is 2-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID21267743
Molecular FormulaC8H4ClF3N4
Molecular Weight248.60 g/mol
Exact Mass248.01
IUPAC Name2-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESFC(F)(F)c1ccn(-c2ccnc(Cl)n2)n1
InChIInChI=1S/C8H4ClF3N4/c9-7-13-3-1-6(14-7)16-4-2-5(15-16)8(10,11)12/h1-4H
InChIKeySBAVEJIAXURCTB-UHFFFAOYSA-N
XLogP2.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.60
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 2-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 21267743) is 2-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 2-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is FC(F)(F)c1ccn(-c2ccnc(Cl)n2)n1.
What is the InChIKey of 2-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is SBAVEJIAXURCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4/c9-7-13-3-1-6(14-7)16-4-2-5(15-16)8(10,11)12/h1-4H.
What are the key properties of 2-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
2-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 248.60 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 21267743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).