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

C4H8N2O — CID 149219345

IUPAC4-methyl-4,5-dihydro-1H-pyrazol-5-ol
SMILESCC1C=NNC1O
InChIInChI=1S/C4H8N2O/c1-3-2-5-6-4(3)7/h2-4,6-7H,1H3
InChIKeyXIDBPVSOGAAEFA-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.47
Rot. Bonds

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

4-methyl-4,5-dihydro-1H-pyrazol-5-ol (PubChem CID 149219345) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 4-methyl-4,5-dihydro-1H-pyrazol-5-ol.

Molecular Properties

Compound Name4-methyl-4,5-dihydro-1H-pyrazol-5-ol
PubChem CID149219345
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name4-methyl-4,5-dihydro-1H-pyrazol-5-ol
SMILESCC1C=NNC1O
InChIInChI=1S/C4H8N2O/c1-3-2-5-6-4(3)7/h2-4,6-7H,1H3
InChIKeyXIDBPVSOGAAEFA-UHFFFAOYSA-N
XLogP-0.47
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 ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,5-dihydro-1H-pyrazol-5-ol?
The IUPAC name of 4-methyl-4,5-dihydro-1H-pyrazol-5-ol (CID 149219345) is 4-methyl-4,5-dihydro-1H-pyrazol-5-ol.
What is the SMILES notation for 4-methyl-4,5-dihydro-1H-pyrazol-5-ol?
The canonical SMILES for 4-methyl-4,5-dihydro-1H-pyrazol-5-ol is CC1C=NNC1O.
What is the InChIKey of 4-methyl-4,5-dihydro-1H-pyrazol-5-ol?
The InChIKey is XIDBPVSOGAAEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3-2-5-6-4(3)7/h2-4,6-7H,1H3.
What are the key properties of 4-methyl-4,5-dihydro-1H-pyrazol-5-ol?
4-methyl-4,5-dihydro-1H-pyrazol-5-ol has a molecular weight of 100.12 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,5-dihydro-1H-pyrazol-5-ol is sourced from PubChem (CID 149219345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).