1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol

C7H12N2O — CID 83675167

IUPAC1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol
SMILESCc1[nH]ncc1CC(C)O
InChIInChI=1S/C7H12N2O/c1-5(10)3-7-4-8-9-6(7)2/h4-5,10H,3H2,1-2H3,(H,8,9)
InChIKeyZSQUDYXIJSBAER-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.64
Rot. Bonds2

About 1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol

1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol (PubChem CID 83675167) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol
PubChem CID83675167
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol
SMILESCc1[nH]ncc1CC(C)O
InChIInChI=1S/C7H12N2O/c1-5(10)3-7-4-8-9-6(7)2/h4-5,10H,3H2,1-2H3,(H,8,9)
InChIKeyZSQUDYXIJSBAER-UHFFFAOYSA-N
XLogP0.64
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol (CID 83675167) is 1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol is Cc1[nH]ncc1CC(C)O.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol?
The InChIKey is ZSQUDYXIJSBAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(10)3-7-4-8-9-6(7)2/h4-5,10H,3H2,1-2H3,(H,8,9).
What are the key properties of 1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol?
1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol has a molecular weight of 140.19 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 83675167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).