4-(4-chloropyrazol-1-yl)-6-ethoxypyrimidine

C9H9ClN4O — CID 71037366

IUPAC4-(4-chloropyrazol-1-yl)-6-ethoxypyrimidine
SMILESCCOc1cc(-n2cc(Cl)cn2)ncn1
InChIInChI=1S/C9H9ClN4O/c1-2-15-9-3-8(11-6-12-9)14-5-7(10)4-13-14/h3-6H,2H2,1H3
InChIKeyVJVFCAVFLVARNP-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.71
Rot. Bonds3

About 4-(4-chloropyrazol-1-yl)-6-ethoxypyrimidine

4-(4-chloropyrazol-1-yl)-6-ethoxypyrimidine (PubChem CID 71037366) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 4-(4-chloropyrazol-1-yl)-6-ethoxypyrimidine.

Molecular Properties

Compound Name4-(4-chloropyrazol-1-yl)-6-ethoxypyrimidine
PubChem CID71037366
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name4-(4-chloropyrazol-1-yl)-6-ethoxypyrimidine
SMILESCCOc1cc(-n2cc(Cl)cn2)ncn1
InChIInChI=1S/C9H9ClN4O/c1-2-15-9-3-8(11-6-12-9)14-5-7(10)4-13-14/h3-6H,2H2,1H3
InChIKeyVJVFCAVFLVARNP-UHFFFAOYSA-N
XLogP1.71
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropyrazol-1-yl)-6-ethoxypyrimidine?
The IUPAC name of 4-(4-chloropyrazol-1-yl)-6-ethoxypyrimidine (CID 71037366) is 4-(4-chloropyrazol-1-yl)-6-ethoxypyrimidine.
What is the SMILES notation for 4-(4-chloropyrazol-1-yl)-6-ethoxypyrimidine?
The canonical SMILES for 4-(4-chloropyrazol-1-yl)-6-ethoxypyrimidine is CCOc1cc(-n2cc(Cl)cn2)ncn1.
What is the InChIKey of 4-(4-chloropyrazol-1-yl)-6-ethoxypyrimidine?
The InChIKey is VJVFCAVFLVARNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-2-15-9-3-8(11-6-12-9)14-5-7(10)4-13-14/h3-6H,2H2,1H3.
What are the key properties of 4-(4-chloropyrazol-1-yl)-6-ethoxypyrimidine?
4-(4-chloropyrazol-1-yl)-6-ethoxypyrimidine has a molecular weight of 224.65 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrazol-1-yl)-6-ethoxypyrimidine is sourced from PubChem (CID 71037366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).