N-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide

C24H27N3O3S — CID 52984206

IUPACN-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C)cc2)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C24H27N3O3S/c1-3-26(16-19-7-5-4-6-8-19)24(28)22-15-23(20-11-9-18(2)10-12-20)27(25-22)21-13-14-31(29,30)17-21/h4-12,15,21H,3,13-14,16-17H2,1-2H3
InChIKeyNBWSDPYECNEGRT-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.88
Rot. Bonds6

About N-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide

N-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide (PubChem CID 52984206) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide
PubChem CID52984206
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C)cc2)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C24H27N3O3S/c1-3-26(16-19-7-5-4-6-8-19)24(28)22-15-23(20-11-9-18(2)10-12-20)27(25-22)21-13-14-31(29,30)17-21/h4-12,15,21H,3,13-14,16-17H2,1-2H3
InChIKeyNBWSDPYECNEGRT-UHFFFAOYSA-N
XLogP3.88
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide 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

[1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-methylphenyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 51662445
1-[(3S)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 51662403
[1-(1,1-dioxothiolan-3-yl)-5-(4-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 50753410
[1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-methylphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone
CID 51662389
N-tert-butyl-1-(1,1-dioxothiolan-3-yl)-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 50753507
1-[(3R)-1,1-dioxothiolan-3-yl]-5-(4-methylphenyl)-N-(4-phenoxyphenyl)pyrazole-3-carboxamide
CID 51662538
1-[(3R)-1,1-dioxothiolan-3-yl]-N-(3-methylphenyl)-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 51662492
N-(4-acetamidophenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 51662531
N-(3-acetamidophenyl)-1-(1,1-dioxothiolan-3-yl)-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 50753733
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methoxyphenyl)ethyl]-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 51662434
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-methoxyphenyl)methyl]-5-phenylpyrazole-3-carboxamide
CID 42476036
(4-benzylpiperidin-1-yl)-[5-(3,4-dimethylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]methanone
CID 51662645

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide (CID 52984206) is N-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C)cc2)n(C2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is NBWSDPYECNEGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-3-26(16-19-7-5-4-6-8-19)24(28)22-15-23(20-11-9-18(2)10-12-20)27(25-22)21-13-14-31(29,30)17-21/h4-12,15,21H,3,13-14,16-17H2,1-2H3.
What are the key properties of N-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide?
N-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1,1-dioxothiolan-3-yl)-N-ethyl-5-(4-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 52984206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).