1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol

C9H16N2O2 — CID 155543530

IUPAC1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol
SMILESCC(C)c1cc(C(O)CO)n(C)n1
InChIInChI=1S/C9H16N2O2/c1-6(2)7-4-8(9(13)5-12)11(3)10-7/h4,6,9,12-13H,5H2,1-3H3
InChIKeyFWXJONXYZIWHBG-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.57
Rot. Bonds3

About 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol

1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol (PubChem CID 155543530) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol
PubChem CID155543530
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol
SMILESCC(C)c1cc(C(O)CO)n(C)n1
InChIInChI=1S/C9H16N2O2/c1-6(2)7-4-8(9(13)5-12)11(3)10-7/h4,6,9,12-13H,5H2,1-3H3
InChIKeyFWXJONXYZIWHBG-UHFFFAOYSA-N
XLogP0.57
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol?
The IUPAC name of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol (CID 155543530) is 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol?
The canonical SMILES for 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol is CC(C)c1cc(C(O)CO)n(C)n1.
What is the InChIKey of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol?
The InChIKey is FWXJONXYZIWHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(2)7-4-8(9(13)5-12)11(3)10-7/h4,6,9,12-13H,5H2,1-3H3.
What are the key properties of 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol?
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol has a molecular weight of 184.24 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethane-1,2-diol is sourced from PubChem (CID 155543530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).