5-(2-hydroxyethyl)-1,2-dimethylpyrazol-3-one

C7H12N2O2 — CID 83856733

IUPAC5-(2-hydroxyethyl)-1,2-dimethylpyrazol-3-one
SMILESCn1c(CCO)cc(=O)n1C
InChIInChI=1S/C7H12N2O2/c1-8-6(3-4-10)5-7(11)9(8)2/h5,10H,3-4H2,1-2H3
InChIKeyMUVAUOVWTDDNMQ-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.74
Rot. Bonds2

About 5-(2-hydroxyethyl)-1,2-dimethylpyrazol-3-one

5-(2-hydroxyethyl)-1,2-dimethylpyrazol-3-one (PubChem CID 83856733) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-1,2-dimethylpyrazol-3-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-1,2-dimethylpyrazol-3-one
PubChem CID83856733
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name5-(2-hydroxyethyl)-1,2-dimethylpyrazol-3-one
SMILESCn1c(CCO)cc(=O)n1C
InChIInChI=1S/C7H12N2O2/c1-8-6(3-4-10)5-7(11)9(8)2/h5,10H,3-4H2,1-2H3
InChIKeyMUVAUOVWTDDNMQ-UHFFFAOYSA-N
XLogP-0.74
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-1,2-dimethylpyrazol-3-one?
The IUPAC name of 5-(2-hydroxyethyl)-1,2-dimethylpyrazol-3-one (CID 83856733) is 5-(2-hydroxyethyl)-1,2-dimethylpyrazol-3-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-1,2-dimethylpyrazol-3-one?
The canonical SMILES for 5-(2-hydroxyethyl)-1,2-dimethylpyrazol-3-one is Cn1c(CCO)cc(=O)n1C.
What is the InChIKey of 5-(2-hydroxyethyl)-1,2-dimethylpyrazol-3-one?
The InChIKey is MUVAUOVWTDDNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-8-6(3-4-10)5-7(11)9(8)2/h5,10H,3-4H2,1-2H3.
What are the key properties of 5-(2-hydroxyethyl)-1,2-dimethylpyrazol-3-one?
5-(2-hydroxyethyl)-1,2-dimethylpyrazol-3-one has a molecular weight of 156.18 g/mol, XLogP of -0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-1,2-dimethylpyrazol-3-one is sourced from PubChem (CID 83856733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).