[4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate

C17H17N3O4S — CID 155549753

IUPAC[4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate
SMILESCC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)CC1c1ccccc1
InChIInChI=1S/C17H17N3O4S/c1-12(21)20-17(14-5-3-2-4-6-14)11-16(19-20)13-7-9-15(10-8-13)24-25(18,22)23/h2-10,17H,11H2,1H3,(H2,18,22,23)
InChIKeyZTFVAXOMFNDDQF-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.97
Rot. Bonds4

About [4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate

[4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate (PubChem CID 155549753) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is [4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate.

Molecular Properties

Compound Name[4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate
PubChem CID155549753
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name[4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate
SMILESCC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)CC1c1ccccc1
InChIInChI=1S/C17H17N3O4S/c1-12(21)20-17(14-5-3-2-4-6-14)11-16(19-20)13-7-9-15(10-8-13)24-25(18,22)23/h2-10,17H,11H2,1H3,(H2,18,22,23)
InChIKeyZTFVAXOMFNDDQF-UHFFFAOYSA-N
XLogP1.97
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate with MolForge

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

Launch Full Analysis

Related Compounds

[4-[2-Acetyl-3-(2,5-dichlorophenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate
CID 155527483
[4-[2-Acetyl-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenyl] sulfamate
CID 155547275
[3-[2-Acetyl-5-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]phenyl] sulfamate
CID 155550021
[4-[2-Acetyl-3-(3-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate
CID 155554140
[4-[2-Acetyl-3-(2-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate
CID 155557875
[3-[2-Acetyl-5-(4-fluorophenyl)-3,4-dihydropyrazol-3-yl]phenyl] sulfamate
CID 155558747
[4-[2-Acetyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-yl]phenyl] sulfamate
CID 155561568
[4-[2-Acetyl-3-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate
CID 155568045
1-[3-(4-Hydroxy-phenyl)-5-p-tolyl-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 135514579
1-[5-(4-Methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 2879720
1-[3-(4-Fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 25146138
1-[3-(4-Hydroxy-phenyl)-5-m-tolyl-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 135483618

Frequently Asked Questions

What is the IUPAC name of [4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate?
The IUPAC name of [4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate (CID 155549753) is [4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate.
What is the SMILES notation for [4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate?
The canonical SMILES for [4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate is CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)CC1c1ccccc1.
What is the InChIKey of [4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate?
The InChIKey is ZTFVAXOMFNDDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-12(21)20-17(14-5-3-2-4-6-14)11-16(19-20)13-7-9-15(10-8-13)24-25(18,22)23/h2-10,17H,11H2,1H3,(H2,18,22,23).
What are the key properties of [4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate?
[4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate has a molecular weight of 359.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate is sourced from PubChem (CID 155549753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).