5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine

C8H7ClN4O — CID 100731835

IUPAC5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine
SMILESCn1cc(Oc2ncncc2Cl)cn1
InChIInChI=1S/C8H7ClN4O/c1-13-4-6(2-12-13)14-8-7(9)3-10-5-11-8/h2-5H,1H3
InChIKeyJGBBXYYBQPDVEM-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.66
Rot. Bonds2

About 5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine

5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine (PubChem CID 100731835) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is 5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine.

Molecular Properties

Compound Name5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine
PubChem CID100731835
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC Name5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine
SMILESCn1cc(Oc2ncncc2Cl)cn1
InChIInChI=1S/C8H7ClN4O/c1-13-4-6(2-12-13)14-8-7(9)3-10-5-11-8/h2-5H,1H3
InChIKeyJGBBXYYBQPDVEM-UHFFFAOYSA-N
XLogP1.66
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine?
The IUPAC name of 5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine (CID 100731835) is 5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine.
What is the SMILES notation for 5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine?
The canonical SMILES for 5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine is Cn1cc(Oc2ncncc2Cl)cn1.
What is the InChIKey of 5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine?
The InChIKey is JGBBXYYBQPDVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c1-13-4-6(2-12-13)14-8-7(9)3-10-5-11-8/h2-5H,1H3.
What are the key properties of 5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine?
5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine has a molecular weight of 210.62 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine is sourced from PubChem (CID 100731835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).