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

C6H12N2O — CID 135138749

IUPAC3-propyl-4,5-dihydro-1H-pyrazol-5-ol
SMILESCCCC1=NNC(O)C1
InChIInChI=1S/C6H12N2O/c1-2-3-5-4-6(9)8-7-5/h6,8-9H,2-4H2,1H3
InChIKeyVTWDSDKPMSRARJ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.45
Rot. Bonds2

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

3-propyl-4,5-dihydro-1H-pyrazol-5-ol (PubChem CID 135138749) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-propyl-4,5-dihydro-1H-pyrazol-5-ol.

Molecular Properties

Compound Name3-propyl-4,5-dihydro-1H-pyrazol-5-ol
PubChem CID135138749
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3-propyl-4,5-dihydro-1H-pyrazol-5-ol
SMILESCCCC1=NNC(O)C1
InChIInChI=1S/C6H12N2O/c1-2-3-5-4-6(9)8-7-5/h6,8-9H,2-4H2,1H3
InChIKeyVTWDSDKPMSRARJ-UHFFFAOYSA-N
XLogP0.45
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-4,5-dihydro-1H-pyrazol-5-ol?
The IUPAC name of 3-propyl-4,5-dihydro-1H-pyrazol-5-ol (CID 135138749) is 3-propyl-4,5-dihydro-1H-pyrazol-5-ol.
What is the SMILES notation for 3-propyl-4,5-dihydro-1H-pyrazol-5-ol?
The canonical SMILES for 3-propyl-4,5-dihydro-1H-pyrazol-5-ol is CCCC1=NNC(O)C1.
What is the InChIKey of 3-propyl-4,5-dihydro-1H-pyrazol-5-ol?
The InChIKey is VTWDSDKPMSRARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-3-5-4-6(9)8-7-5/h6,8-9H,2-4H2,1H3.
What are the key properties of 3-propyl-4,5-dihydro-1H-pyrazol-5-ol?
3-propyl-4,5-dihydro-1H-pyrazol-5-ol has a molecular weight of 128.17 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-4,5-dihydro-1H-pyrazol-5-ol is sourced from PubChem (CID 135138749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).