3-methyl-4,5-dihydro-1H-pyrazol-5-ol

C4H8N2O — CID 154445006

IUPAC3-methyl-4,5-dihydro-1H-pyrazol-5-ol
SMILESCC1=NNC(O)C1
InChIInChI=1S/C4H8N2O/c1-3-2-4(7)6-5-3/h4,6-7H,2H2,1H3
InChIKeyYYXDCAJFRFACDR-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.33
Rot. Bonds

About 3-methyl-4,5-dihydro-1H-pyrazol-5-ol

3-methyl-4,5-dihydro-1H-pyrazol-5-ol (PubChem CID 154445006) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-methyl-4,5-dihydro-1H-pyrazol-5-ol.

Molecular Properties

Compound Name3-methyl-4,5-dihydro-1H-pyrazol-5-ol
PubChem CID154445006
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name3-methyl-4,5-dihydro-1H-pyrazol-5-ol
SMILESCC1=NNC(O)C1
InChIInChI=1S/C4H8N2O/c1-3-2-4(7)6-5-3/h4,6-7H,2H2,1H3
InChIKeyYYXDCAJFRFACDR-UHFFFAOYSA-N
XLogP-0.33
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-dihydro-1H-pyrazol-5-ol?
The IUPAC name of 3-methyl-4,5-dihydro-1H-pyrazol-5-ol (CID 154445006) is 3-methyl-4,5-dihydro-1H-pyrazol-5-ol.
What is the SMILES notation for 3-methyl-4,5-dihydro-1H-pyrazol-5-ol?
The canonical SMILES for 3-methyl-4,5-dihydro-1H-pyrazol-5-ol is CC1=NNC(O)C1.
What is the InChIKey of 3-methyl-4,5-dihydro-1H-pyrazol-5-ol?
The InChIKey is YYXDCAJFRFACDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3-2-4(7)6-5-3/h4,6-7H,2H2,1H3.
What are the key properties of 3-methyl-4,5-dihydro-1H-pyrazol-5-ol?
3-methyl-4,5-dihydro-1H-pyrazol-5-ol has a molecular weight of 100.12 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-dihydro-1H-pyrazol-5-ol is sourced from PubChem (CID 154445006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).