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

C7H12N2O2 — CID 117124610

IUPAC5-ethyl-4-(2-hydroxyethyl)-1,2-dihydropyrazol-3-one
SMILESCCc1[nH][nH]c(=O)c1CCO
InChIInChI=1S/C7H12N2O2/c1-2-6-5(3-4-10)7(11)9-8-6/h10H,2-4H2,1H3,(H2,8,9,11)
InChIKeyCTWBYVPHWWGPHO-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.20
Rot. Bonds3

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

5-ethyl-4-(2-hydroxyethyl)-1,2-dihydropyrazol-3-one (PubChem CID 117124610) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 5-ethyl-4-(2-hydroxyethyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-ethyl-4-(2-hydroxyethyl)-1,2-dihydropyrazol-3-one
PubChem CID117124610
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name5-ethyl-4-(2-hydroxyethyl)-1,2-dihydropyrazol-3-one
SMILESCCc1[nH][nH]c(=O)c1CCO
InChIInChI=1S/C7H12N2O2/c1-2-6-5(3-4-10)7(11)9-8-6/h10H,2-4H2,1H3,(H2,8,9,11)
InChIKeyCTWBYVPHWWGPHO-UHFFFAOYSA-N
XLogP-0.20
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(2-hydroxyethyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-ethyl-4-(2-hydroxyethyl)-1,2-dihydropyrazol-3-one (CID 117124610) is 5-ethyl-4-(2-hydroxyethyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-ethyl-4-(2-hydroxyethyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-ethyl-4-(2-hydroxyethyl)-1,2-dihydropyrazol-3-one is CCc1[nH][nH]c(=O)c1CCO.
What is the InChIKey of 5-ethyl-4-(2-hydroxyethyl)-1,2-dihydropyrazol-3-one?
The InChIKey is CTWBYVPHWWGPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-6-5(3-4-10)7(11)9-8-6/h10H,2-4H2,1H3,(H2,8,9,11).
What are the key properties of 5-ethyl-4-(2-hydroxyethyl)-1,2-dihydropyrazol-3-one?
5-ethyl-4-(2-hydroxyethyl)-1,2-dihydropyrazol-3-one has a molecular weight of 156.18 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(2-hydroxyethyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 117124610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).