2-(2-hydroxyethyl)-3,4-dimethyl-1H-pyrazol-5-one

C7H12N2O2 — CID 170446236

IUPAC2-(2-hydroxyethyl)-3,4-dimethyl-1H-pyrazol-5-one
SMILESCc1c(C)n(CCO)[nH]c1=O
InChIInChI=1S/C7H12N2O2/c1-5-6(2)9(3-4-10)8-7(5)11/h10H,3-4H2,1-2H3,(H,8,11)
InChIKeyWSXSCNVMGUHUCA-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.21
Rot. Bonds2

About 2-(2-hydroxyethyl)-3,4-dimethyl-1H-pyrazol-5-one

2-(2-hydroxyethyl)-3,4-dimethyl-1H-pyrazol-5-one (PubChem CID 170446236) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-3,4-dimethyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-3,4-dimethyl-1H-pyrazol-5-one
PubChem CID170446236
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-(2-hydroxyethyl)-3,4-dimethyl-1H-pyrazol-5-one
SMILESCc1c(C)n(CCO)[nH]c1=O
InChIInChI=1S/C7H12N2O2/c1-5-6(2)9(3-4-10)8-7(5)11/h10H,3-4H2,1-2H3,(H,8,11)
InChIKeyWSXSCNVMGUHUCA-UHFFFAOYSA-N
XLogP-0.21
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-3,4-dimethyl-1H-pyrazol-5-one?
The IUPAC name of 2-(2-hydroxyethyl)-3,4-dimethyl-1H-pyrazol-5-one (CID 170446236) is 2-(2-hydroxyethyl)-3,4-dimethyl-1H-pyrazol-5-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-3,4-dimethyl-1H-pyrazol-5-one?
The canonical SMILES for 2-(2-hydroxyethyl)-3,4-dimethyl-1H-pyrazol-5-one is Cc1c(C)n(CCO)[nH]c1=O.
What is the InChIKey of 2-(2-hydroxyethyl)-3,4-dimethyl-1H-pyrazol-5-one?
The InChIKey is WSXSCNVMGUHUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5-6(2)9(3-4-10)8-7(5)11/h10H,3-4H2,1-2H3,(H,8,11).
What are the key properties of 2-(2-hydroxyethyl)-3,4-dimethyl-1H-pyrazol-5-one?
2-(2-hydroxyethyl)-3,4-dimethyl-1H-pyrazol-5-one has a molecular weight of 156.18 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-3,4-dimethyl-1H-pyrazol-5-one is sourced from PubChem (CID 170446236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).