4-chloro-1,3-dimethylpyrazol-5-olate

C5H6ClN2O- — CID 147232015

IUPAC4-chloro-1,3-dimethylpyrazol-5-olate
SMILESCc1nn(C)c([O-])c1Cl
InChIInChI=1S/C5H7ClN2O/c1-3-4(6)5(9)8(2)7-3/h9H,1-2H3/p-1
InChIKeyCJCDQMXQAKWCIS-UHFFFAOYSA-M
MW145.57 g/mol
LogP0.46
Rot. Bonds

About 4-chloro-1,3-dimethylpyrazol-5-olate

4-chloro-1,3-dimethylpyrazol-5-olate (PubChem CID 147232015) has the molecular formula C5H6ClN2O- and a molecular weight of 145.57 g/mol. Its IUPAC name is 4-chloro-1,3-dimethylpyrazol-5-olate.

Molecular Properties

Compound Name4-chloro-1,3-dimethylpyrazol-5-olate
PubChem CID147232015
Molecular FormulaC5H6ClN2O-
Molecular Weight145.57 g/mol
Exact Mass145.02
IUPAC Name4-chloro-1,3-dimethylpyrazol-5-olate
SMILESCc1nn(C)c([O-])c1Cl
InChIInChI=1S/C5H7ClN2O/c1-3-4(6)5(9)8(2)7-3/h9H,1-2H3/p-1
InChIKeyCJCDQMXQAKWCIS-UHFFFAOYSA-M
XLogP0.46
TPSA40.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.57
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethylpyrazol-5-olate?
The IUPAC name of 4-chloro-1,3-dimethylpyrazol-5-olate (CID 147232015) is 4-chloro-1,3-dimethylpyrazol-5-olate.
What is the SMILES notation for 4-chloro-1,3-dimethylpyrazol-5-olate?
The canonical SMILES for 4-chloro-1,3-dimethylpyrazol-5-olate is Cc1nn(C)c([O-])c1Cl.
What is the InChIKey of 4-chloro-1,3-dimethylpyrazol-5-olate?
The InChIKey is CJCDQMXQAKWCIS-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7ClN2O/c1-3-4(6)5(9)8(2)7-3/h9H,1-2H3/p-1.
What are the key properties of 4-chloro-1,3-dimethylpyrazol-5-olate?
4-chloro-1,3-dimethylpyrazol-5-olate has a molecular weight of 145.57 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethylpyrazol-5-olate is sourced from PubChem (CID 147232015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).