4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one

C6H10N2O2 — CID 2763688

IUPAC4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1CCO
InChIInChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h9H,2-3H2,1H3,(H2,7,8,10)
InChIKeyDJBJHPDVWKRAJB-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.45
Rot. Bonds2

About 4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one

4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one (PubChem CID 2763688) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one
PubChem CID2763688
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one
SMILESCc1[nH][nH]c(=O)c1CCO
InChIInChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h9H,2-3H2,1H3,(H2,7,8,10)
InChIKeyDJBJHPDVWKRAJB-UHFFFAOYSA-N
XLogP-0.45
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one (CID 2763688) is 4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one is Cc1[nH][nH]c(=O)c1CCO.
What is the InChIKey of 4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is DJBJHPDVWKRAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h9H,2-3H2,1H3,(H2,7,8,10).
What are the key properties of 4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one?
4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 142.16 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-5-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 2763688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).