1-propan-2-ylpyrazol-4-ol

C6H10N2O — CID 13018411

IUPAC1-propan-2-ylpyrazol-4-ol
SMILESCC(C)n1cc(O)cn1
InChIInChI=1S/C6H10N2O/c1-5(2)8-4-6(9)3-7-8/h3-5,9H,1-2H3
InChIKeyGTVJTOUCOLLRGC-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.17
Rot. Bonds1

About 1-propan-2-ylpyrazol-4-ol

1-propan-2-ylpyrazol-4-ol (PubChem CID 13018411) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-propan-2-ylpyrazol-4-ol.

Molecular Properties

Compound Name1-propan-2-ylpyrazol-4-ol
PubChem CID13018411
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name1-propan-2-ylpyrazol-4-ol
SMILESCC(C)n1cc(O)cn1
InChIInChI=1S/C6H10N2O/c1-5(2)8-4-6(9)3-7-8/h3-5,9H,1-2H3
InChIKeyGTVJTOUCOLLRGC-UHFFFAOYSA-N
XLogP1.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrazol-4-ol?
The IUPAC name of 1-propan-2-ylpyrazol-4-ol (CID 13018411) is 1-propan-2-ylpyrazol-4-ol.
What is the SMILES notation for 1-propan-2-ylpyrazol-4-ol?
The canonical SMILES for 1-propan-2-ylpyrazol-4-ol is CC(C)n1cc(O)cn1.
What is the InChIKey of 1-propan-2-ylpyrazol-4-ol?
The InChIKey is GTVJTOUCOLLRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(2)8-4-6(9)3-7-8/h3-5,9H,1-2H3.
What are the key properties of 1-propan-2-ylpyrazol-4-ol?
1-propan-2-ylpyrazol-4-ol has a molecular weight of 126.16 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrazol-4-ol is sourced from PubChem (CID 13018411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).