1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone

C16H20ClN3O3 — CID 118726166

IUPAC1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
SMILESCC1=NN(C(=O)CN2CCOCC2)C(c2cc(Cl)ccc2O)C1
InChIInChI=1S/C16H20ClN3O3/c1-11-8-14(13-9-12(17)2-3-15(13)21)20(18-11)16(22)10-19-4-6-23-7-5-19/h2-3,9,14,21H,4-8,10H2,1H3
InChIKeyAFFAMUKKAMXZLF-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.03
Rot. Bonds3

About 1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone

1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone (PubChem CID 118726166) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
PubChem CID118726166
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
SMILESCC1=NN(C(=O)CN2CCOCC2)C(c2cc(Cl)ccc2O)C1
InChIInChI=1S/C16H20ClN3O3/c1-11-8-14(13-9-12(17)2-3-15(13)21)20(18-11)16(22)10-19-4-6-23-7-5-19/h2-3,9,14,21H,4-8,10H2,1H3
InChIKeyAFFAMUKKAMXZLF-UHFFFAOYSA-N
XLogP2.03
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone 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 1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone (CID 118726166) is 1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone is CC1=NN(C(=O)CN2CCOCC2)C(c2cc(Cl)ccc2O)C1.
What is the InChIKey of 1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The InChIKey is AFFAMUKKAMXZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-11-8-14(13-9-12(17)2-3-15(13)21)20(18-11)16(22)10-19-4-6-23-7-5-19/h2-3,9,14,21H,4-8,10H2,1H3.
What are the key properties of 1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone has a molecular weight of 337.81 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-chloro-2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 118726166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).