2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanol

C9H16N2O — CID 89351203

IUPAC2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanol
SMILESCc1[nH]nc(C(C)C)c1CCO
InChIInChI=1S/C9H16N2O/c1-6(2)9-8(4-5-12)7(3)10-11-9/h6,12H,4-5H2,1-3H3,(H,10,11)
InChIKeyYYLWDXRQOBQWDM-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.38
Rot. Bonds3

About 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanol

2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanol (PubChem CID 89351203) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanol
PubChem CID89351203
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanol
SMILESCc1[nH]nc(C(C)C)c1CCO
InChIInChI=1S/C9H16N2O/c1-6(2)9-8(4-5-12)7(3)10-11-9/h6,12H,4-5H2,1-3H3,(H,10,11)
InChIKeyYYLWDXRQOBQWDM-UHFFFAOYSA-N
XLogP1.38
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanol?
The IUPAC name of 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanol (CID 89351203) is 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanol?
The canonical SMILES for 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanol is Cc1[nH]nc(C(C)C)c1CCO.
What is the InChIKey of 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanol?
The InChIKey is YYLWDXRQOBQWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(2)9-8(4-5-12)7(3)10-11-9/h6,12H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanol?
2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanol has a molecular weight of 168.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanol is sourced from PubChem (CID 89351203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).