(1-propan-2-ylpyrazol-3-yl)methanol

C7H12N2O — CID 23005538

IUPAC(1-propan-2-ylpyrazol-3-yl)methanol
SMILESCC(C)n1ccc(CO)n1
InChIInChI=1S/C7H12N2O/c1-6(2)9-4-3-7(5-10)8-9/h3-4,6,10H,5H2,1-2H3
InChIKeyZSTOEPVCZPKMDO-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.96
Rot. Bonds2

About (1-propan-2-ylpyrazol-3-yl)methanol

(1-propan-2-ylpyrazol-3-yl)methanol (PubChem CID 23005538) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (1-propan-2-ylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(1-propan-2-ylpyrazol-3-yl)methanol
PubChem CID23005538
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(1-propan-2-ylpyrazol-3-yl)methanol
SMILESCC(C)n1ccc(CO)n1
InChIInChI=1S/C7H12N2O/c1-6(2)9-4-3-7(5-10)8-9/h3-4,6,10H,5H2,1-2H3
InChIKeyZSTOEPVCZPKMDO-UHFFFAOYSA-N
XLogP0.96
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.96
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-3-yl)methanol?
The IUPAC name of (1-propan-2-ylpyrazol-3-yl)methanol (CID 23005538) is (1-propan-2-ylpyrazol-3-yl)methanol.
What is the SMILES notation for (1-propan-2-ylpyrazol-3-yl)methanol?
The canonical SMILES for (1-propan-2-ylpyrazol-3-yl)methanol is CC(C)n1ccc(CO)n1.
What is the InChIKey of (1-propan-2-ylpyrazol-3-yl)methanol?
The InChIKey is ZSTOEPVCZPKMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(2)9-4-3-7(5-10)8-9/h3-4,6,10H,5H2,1-2H3.
What are the key properties of (1-propan-2-ylpyrazol-3-yl)methanol?
(1-propan-2-ylpyrazol-3-yl)methanol has a molecular weight of 140.19 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrazol-3-yl)methanol is sourced from PubChem (CID 23005538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).