4-(2-methylpyrazol-3-yl)oxan-4-ol

C9H14N2O2 — CID 63960719

IUPAC4-(2-methylpyrazol-3-yl)oxan-4-ol
SMILESCn1nccc1C1(O)CCOCC1
InChIInChI=1S/C9H14N2O2/c1-11-8(2-5-10-11)9(12)3-6-13-7-4-9/h2,5,12H,3-4,6-7H2,1H3
InChIKeyRRFZNMWQMSNCNE-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.42
Rot. Bonds1

About 4-(2-methylpyrazol-3-yl)oxan-4-ol

4-(2-methylpyrazol-3-yl)oxan-4-ol (PubChem CID 63960719) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)oxan-4-ol.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)oxan-4-ol
PubChem CID63960719
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4-(2-methylpyrazol-3-yl)oxan-4-ol
SMILESCn1nccc1C1(O)CCOCC1
InChIInChI=1S/C9H14N2O2/c1-11-8(2-5-10-11)9(12)3-6-13-7-4-9/h2,5,12H,3-4,6-7H2,1H3
InChIKeyRRFZNMWQMSNCNE-UHFFFAOYSA-N
XLogP0.42
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylpyrazol-3-yl)oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)oxan-4-ol?
The IUPAC name of 4-(2-methylpyrazol-3-yl)oxan-4-ol (CID 63960719) is 4-(2-methylpyrazol-3-yl)oxan-4-ol.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)oxan-4-ol?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)oxan-4-ol is Cn1nccc1C1(O)CCOCC1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)oxan-4-ol?
The InChIKey is RRFZNMWQMSNCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11-8(2-5-10-11)9(12)3-6-13-7-4-9/h2,5,12H,3-4,6-7H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)oxan-4-ol?
4-(2-methylpyrazol-3-yl)oxan-4-ol has a molecular weight of 182.22 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)oxan-4-ol is sourced from PubChem (CID 63960719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).