3-(1H-pyrazol-4-yl)propan-1-ol

C6H10N2O — CID 3578384

IUPAC3-(1H-pyrazol-4-yl)propan-1-ol
SMILESOCCCc1cn[nH]c1
InChIInChI=1S/C6H10N2O/c9-3-1-2-6-4-7-8-5-6/h4-5,9H,1-3H2,(H,7,8)
InChIKeyLGBRAJDGWUXFBO-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.33
Rot. Bonds3

About 3-(1H-pyrazol-4-yl)propan-1-ol

3-(1H-pyrazol-4-yl)propan-1-ol (PubChem CID 3578384) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)propan-1-ol
PubChem CID3578384
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name3-(1H-pyrazol-4-yl)propan-1-ol
SMILESOCCCc1cn[nH]c1
InChIInChI=1S/C6H10N2O/c9-3-1-2-6-4-7-8-5-6/h4-5,9H,1-3H2,(H,7,8)
InChIKeyLGBRAJDGWUXFBO-UHFFFAOYSA-N
XLogP0.33
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)propan-1-ol?
The IUPAC name of 3-(1H-pyrazol-4-yl)propan-1-ol (CID 3578384) is 3-(1H-pyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(1H-pyrazol-4-yl)propan-1-ol is OCCCc1cn[nH]c1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)propan-1-ol?
The InChIKey is LGBRAJDGWUXFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c9-3-1-2-6-4-7-8-5-6/h4-5,9H,1-3H2,(H,7,8).
What are the key properties of 3-(1H-pyrazol-4-yl)propan-1-ol?
3-(1H-pyrazol-4-yl)propan-1-ol has a molecular weight of 126.16 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 3578384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).