1-pyrazol-1-ylpropan-2-ol

C6H10N2O — CID 19621383

IUPAC1-pyrazol-1-ylpropan-2-ol
SMILESCC(O)Cn1cccn1
InChIInChI=1S/C6H10N2O/c1-6(9)5-8-4-2-3-7-8/h2-4,6,9H,5H2,1H3
InChIKeyVPFGKEVDZXXQAV-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.26
Rot. Bonds2

About 1-pyrazol-1-ylpropan-2-ol

1-pyrazol-1-ylpropan-2-ol (PubChem CID 19621383) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-pyrazol-1-ylpropan-2-ol
PubChem CID19621383
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-pyrazol-1-ylpropan-2-ol
SMILESCC(O)Cn1cccn1
InChIInChI=1S/C6H10N2O/c1-6(9)5-8-4-2-3-7-8/h2-4,6,9H,5H2,1H3
InChIKeyVPFGKEVDZXXQAV-UHFFFAOYSA-N
XLogP0.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-pyrazol-1-ylpropan-2-ol (CID 19621383) is 1-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-pyrazol-1-ylpropan-2-ol is CC(O)Cn1cccn1.
What is the InChIKey of 1-pyrazol-1-ylpropan-2-ol?
The InChIKey is VPFGKEVDZXXQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-6(9)5-8-4-2-3-7-8/h2-4,6,9H,5H2,1H3.
What are the key properties of 1-pyrazol-1-ylpropan-2-ol?
1-pyrazol-1-ylpropan-2-ol has a molecular weight of 126.16 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 19621383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).