4,5-dihydro-1H-pyrazol-3-ylmethanol

C4H8N2O — CID 22181555

IUPAC4,5-dihydro-1H-pyrazol-3-ylmethanol
SMILESOCC1=NNCC1
InChIInChI=1S/C4H8N2O/c7-3-4-1-2-5-6-4/h5,7H,1-3H2
InChIKeyWRORWDVJEMQZRS-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.67
Rot. Bonds1

About 4,5-dihydro-1H-pyrazol-3-ylmethanol

4,5-dihydro-1H-pyrazol-3-ylmethanol (PubChem CID 22181555) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 4,5-dihydro-1H-pyrazol-3-ylmethanol.

Molecular Properties

Compound Name4,5-dihydro-1H-pyrazol-3-ylmethanol
PubChem CID22181555
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name4,5-dihydro-1H-pyrazol-3-ylmethanol
SMILESOCC1=NNCC1
InChIInChI=1S/C4H8N2O/c7-3-4-1-2-5-6-4/h5,7H,1-3H2
InChIKeyWRORWDVJEMQZRS-UHFFFAOYSA-N
XLogP-0.67
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-pyrazol-3-ylmethanol?
The IUPAC name of 4,5-dihydro-1H-pyrazol-3-ylmethanol (CID 22181555) is 4,5-dihydro-1H-pyrazol-3-ylmethanol.
What is the SMILES notation for 4,5-dihydro-1H-pyrazol-3-ylmethanol?
The canonical SMILES for 4,5-dihydro-1H-pyrazol-3-ylmethanol is OCC1=NNCC1.
What is the InChIKey of 4,5-dihydro-1H-pyrazol-3-ylmethanol?
The InChIKey is WRORWDVJEMQZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c7-3-4-1-2-5-6-4/h5,7H,1-3H2.
What are the key properties of 4,5-dihydro-1H-pyrazol-3-ylmethanol?
4,5-dihydro-1H-pyrazol-3-ylmethanol has a molecular weight of 100.12 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-pyrazol-3-ylmethanol is sourced from PubChem (CID 22181555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).