2-chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine

C10H8ClF3N4O — CID 114562140

IUPAC2-chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine
SMILESCCn1cc(Oc2cc(C(F)(F)F)nc(Cl)n2)cn1
InChIInChI=1S/C10H8ClF3N4O/c1-2-18-5-6(4-15-18)19-8-3-7(10(12,13)14)16-9(11)17-8/h3-5H,2H2,1H3
InChIKeyZCBPBKMTQMVUJM-UHFFFAOYSA-N
MW292.65 g/mol
LogP3.16
Rot. Bonds3

About 2-chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine

2-chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine (PubChem CID 114562140) has the molecular formula C10H8ClF3N4O and a molecular weight of 292.65 g/mol. Its IUPAC name is 2-chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine
PubChem CID114562140
Molecular FormulaC10H8ClF3N4O
Molecular Weight292.65 g/mol
Exact Mass292.03
IUPAC Name2-chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine
SMILESCCn1cc(Oc2cc(C(F)(F)F)nc(Cl)n2)cn1
InChIInChI=1S/C10H8ClF3N4O/c1-2-18-5-6(4-15-18)19-8-3-7(10(12,13)14)16-9(11)17-8/h3-5H,2H2,1H3
InChIKeyZCBPBKMTQMVUJM-UHFFFAOYSA-N
XLogP3.16
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.65
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine (CID 114562140) is 2-chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine is CCn1cc(Oc2cc(C(F)(F)F)nc(Cl)n2)cn1.
What is the InChIKey of 2-chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is ZCBPBKMTQMVUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O/c1-2-18-5-6(4-15-18)19-8-3-7(10(12,13)14)16-9(11)17-8/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 292.65 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-ethylpyrazol-4-yl)oxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114562140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).