4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one

C9H17N3O2 — CID 103994831

IUPAC4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
SMILESCC(C)Cc1[nH]n(CCO)c(=O)c1N
InChIInChI=1S/C9H17N3O2/c1-6(2)5-7-8(10)9(14)12(11-7)3-4-13/h6,11,13H,3-5,10H2,1-2H3
InChIKeyYZQJFTKPEVPWJJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.05
Rot. Bonds4

About 4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one

4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one (PubChem CID 103994831) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
PubChem CID103994831
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
SMILESCC(C)Cc1[nH]n(CCO)c(=O)c1N
InChIInChI=1S/C9H17N3O2/c1-6(2)5-7-8(10)9(14)12(11-7)3-4-13/h6,11,13H,3-5,10H2,1-2H3
InChIKeyYZQJFTKPEVPWJJ-UHFFFAOYSA-N
XLogP-0.05
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one (CID 103994831) is 4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one is CC(C)Cc1[nH]n(CCO)c(=O)c1N.
What is the InChIKey of 4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one?
The InChIKey is YZQJFTKPEVPWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(2)5-7-8(10)9(14)12(11-7)3-4-13/h6,11,13H,3-5,10H2,1-2H3.
What are the key properties of 4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one?
4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one has a molecular weight of 199.25 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-hydroxyethyl)-5-(2-methylpropyl)-1H-pyrazol-3-one is sourced from PubChem (CID 103994831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).