2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C9H6ClF3N4 — CID 79072534

IUPAC2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCc1cnc(Cl)nc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H6ClF3N4/c1-5-4-14-8(10)15-7(5)17-3-2-6(16-17)9(11,12)13/h2-4H,1H3
InChIKeyNYQIUJWLVYODLU-UHFFFAOYSA-N
MW262.62 g/mol
LogP2.64
Rot. Bonds1

About 2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 79072534) has the molecular formula C9H6ClF3N4 and a molecular weight of 262.62 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID79072534
Molecular FormulaC9H6ClF3N4
Molecular Weight262.62 g/mol
Exact Mass262.02
IUPAC Name2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCc1cnc(Cl)nc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H6ClF3N4/c1-5-4-14-8(10)15-7(5)17-3-2-6(16-17)9(11,12)13/h2-4H,1H3
InChIKeyNYQIUJWLVYODLU-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 2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 79072534) is 2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is Cc1cnc(Cl)nc1-n1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is NYQIUJWLVYODLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4/c1-5-4-14-8(10)15-7(5)17-3-2-6(16-17)9(11,12)13/h2-4H,1H3.
What are the key properties of 2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]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 2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 79072534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).