5-chloro-1-methylpyrazol-4-ol

C4H5ClN2O — CID 117232826

IUPAC5-chloro-1-methylpyrazol-4-ol
SMILESCn1ncc(O)c1Cl
InChIInChI=1S/C4H5ClN2O/c1-7-4(5)3(8)2-6-7/h2,8H,1H3
InChIKeyHGCHMNBAHKJTGT-UHFFFAOYSA-N
MW132.55 g/mol
LogP0.78
Rot. Bonds

About 5-chloro-1-methylpyrazol-4-ol

5-chloro-1-methylpyrazol-4-ol (PubChem CID 117232826) has the molecular formula C4H5ClN2O and a molecular weight of 132.55 g/mol. Its IUPAC name is 5-chloro-1-methylpyrazol-4-ol.

Molecular Properties

Compound Name5-chloro-1-methylpyrazol-4-ol
PubChem CID117232826
Molecular FormulaC4H5ClN2O
Molecular Weight132.55 g/mol
Exact Mass132.01
IUPAC Name5-chloro-1-methylpyrazol-4-ol
SMILESCn1ncc(O)c1Cl
InChIInChI=1S/C4H5ClN2O/c1-7-4(5)3(8)2-6-7/h2,8H,1H3
InChIKeyHGCHMNBAHKJTGT-UHFFFAOYSA-N
XLogP0.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.55
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methylpyrazol-4-ol?
The IUPAC name of 5-chloro-1-methylpyrazol-4-ol (CID 117232826) is 5-chloro-1-methylpyrazol-4-ol.
What is the SMILES notation for 5-chloro-1-methylpyrazol-4-ol?
The canonical SMILES for 5-chloro-1-methylpyrazol-4-ol is Cn1ncc(O)c1Cl.
What is the InChIKey of 5-chloro-1-methylpyrazol-4-ol?
The InChIKey is HGCHMNBAHKJTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2O/c1-7-4(5)3(8)2-6-7/h2,8H,1H3.
What are the key properties of 5-chloro-1-methylpyrazol-4-ol?
5-chloro-1-methylpyrazol-4-ol has a molecular weight of 132.55 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methylpyrazol-4-ol is sourced from PubChem (CID 117232826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).