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

C18H19N3O4S — CID 155514970

IUPAC[4-[2-acetyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate
SMILESCC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)CC1c1ccc(C)cc1
InChIInChI=1S/C18H19N3O4S/c1-12-3-5-15(6-4-12)18-11-17(20-21(18)13(2)22)14-7-9-16(10-8-14)25-26(19,23)24/h3-10,18H,11H2,1-2H3,(H2,19,23,24)
InChIKeyDJHPJICVZYBURS-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.27
Rot. Bonds4

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

[4-[2-acetyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate (PubChem CID 155514970) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is [4-[2-acetyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[2-acetyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate
PubChem CID155514970
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name[4-[2-acetyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate
SMILESCC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)CC1c1ccc(C)cc1
InChIInChI=1S/C18H19N3O4S/c1-12-3-5-15(6-4-12)18-11-17(20-21(18)13(2)22)14-7-9-16(10-8-14)25-26(19,23)24/h3-10,18H,11H2,1-2H3,(H2,19,23,24)
InChIKeyDJHPJICVZYBURS-UHFFFAOYSA-N
XLogP2.27
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[2-acetyl-3-(4-methylphenyl)-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
[4-(2-Acetyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl] sulfamate
CID 155549753
[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

Frequently Asked Questions

What is the IUPAC name of [4-[2-acetyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate?
The IUPAC name of [4-[2-acetyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate (CID 155514970) is [4-[2-acetyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate.
What is the SMILES notation for [4-[2-acetyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate?
The canonical SMILES for [4-[2-acetyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate is CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)CC1c1ccc(C)cc1.
What is the InChIKey of [4-[2-acetyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate?
The InChIKey is DJHPJICVZYBURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-12-3-5-15(6-4-12)18-11-17(20-21(18)13(2)22)14-7-9-16(10-8-14)25-26(19,23)24/h3-10,18H,11H2,1-2H3,(H2,19,23,24).
What are the key properties of [4-[2-acetyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate?
[4-[2-acetyl-3-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate has a molecular weight of 373.43 g/mol, XLogP of 2.27, 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-(4-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl] sulfamate is sourced from PubChem (CID 155514970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).