1-(1H-pyrazol-4-yl)propan-2-ol

C6H10N2O — CID 83675069

IUPAC1-(1H-pyrazol-4-yl)propan-2-ol
SMILESCC(O)Cc1cn[nH]c1
InChIInChI=1S/C6H10N2O/c1-5(9)2-6-3-7-8-4-6/h3-5,9H,2H2,1H3,(H,7,8)
InChIKeyNEZCCACCRAEHFI-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.33
Rot. Bonds2

About 1-(1H-pyrazol-4-yl)propan-2-ol

1-(1H-pyrazol-4-yl)propan-2-ol (PubChem CID 83675069) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)propan-2-ol
PubChem CID83675069
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-(1H-pyrazol-4-yl)propan-2-ol
SMILESCC(O)Cc1cn[nH]c1
InChIInChI=1S/C6H10N2O/c1-5(9)2-6-3-7-8-4-6/h3-5,9H,2H2,1H3,(H,7,8)
InChIKeyNEZCCACCRAEHFI-UHFFFAOYSA-N
XLogP0.33
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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 1-(1H-pyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-(1H-pyrazol-4-yl)propan-2-ol (CID 83675069) is 1-(1H-pyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(1H-pyrazol-4-yl)propan-2-ol is CC(O)Cc1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-yl)propan-2-ol?
The InChIKey is NEZCCACCRAEHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(9)2-6-3-7-8-4-6/h3-5,9H,2H2,1H3,(H,7,8).
What are the key properties of 1-(1H-pyrazol-4-yl)propan-2-ol?
1-(1H-pyrazol-4-yl)propan-2-ol has a molecular weight of 126.16 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 83675069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).