4,5-dihydro-3H-pyrazol-3-ol

C3H6N2O — CID 70194089

IUPAC4,5-dihydro-3H-pyrazol-3-ol
SMILESOC1CCN=N1
InChIInChI=1S/C3H6N2O/c6-3-1-2-4-5-3/h3,6H,1-2H2
InChIKeyUXAHEBRBPJEPKR-UHFFFAOYSA-N
MW86.09 g/mol
LogP0.16
Rot. Bonds

About 4,5-dihydro-3H-pyrazol-3-ol

4,5-dihydro-3H-pyrazol-3-ol (PubChem CID 70194089) has the molecular formula C3H6N2O and a molecular weight of 86.09 g/mol. Its IUPAC name is 4,5-dihydro-3H-pyrazol-3-ol.

Molecular Properties

Compound Name4,5-dihydro-3H-pyrazol-3-ol
PubChem CID70194089
Molecular FormulaC3H6N2O
Molecular Weight86.09 g/mol
Exact Mass86.05
IUPAC Name4,5-dihydro-3H-pyrazol-3-ol
SMILESOC1CCN=N1
InChIInChI=1S/C3H6N2O/c6-3-1-2-4-5-3/h3,6H,1-2H2
InChIKeyUXAHEBRBPJEPKR-UHFFFAOYSA-N
XLogP0.16
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-3H-pyrazol-3-ol?
The IUPAC name of 4,5-dihydro-3H-pyrazol-3-ol (CID 70194089) is 4,5-dihydro-3H-pyrazol-3-ol.
What is the SMILES notation for 4,5-dihydro-3H-pyrazol-3-ol?
The canonical SMILES for 4,5-dihydro-3H-pyrazol-3-ol is OC1CCN=N1.
What is the InChIKey of 4,5-dihydro-3H-pyrazol-3-ol?
The InChIKey is UXAHEBRBPJEPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O/c6-3-1-2-4-5-3/h3,6H,1-2H2.
What are the key properties of 4,5-dihydro-3H-pyrazol-3-ol?
4,5-dihydro-3H-pyrazol-3-ol has a molecular weight of 86.09 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-3H-pyrazol-3-ol is sourced from PubChem (CID 70194089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).