N-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

C18H24N4O3S — CID 163183487

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n[nH]1
InChIInChI=1S/C18H24N4O3S/c1-18(2,3)15-12-16(21-20-15)19-17(23)13-6-8-14(9-7-13)26(24,25)22-10-4-5-11-22/h6-9,12H,4-5,10-11H2,1-3H3,(H2,19,20,21,23)
InChIKeyRWSQKAWHFBAQTA-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.74
Rot. Bonds4

About N-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 163183487) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID163183487
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n[nH]1
InChIInChI=1S/C18H24N4O3S/c1-18(2,3)15-12-16(21-20-15)19-17(23)13-6-8-14(9-7-13)26(24,25)22-10-4-5-11-22/h6-9,12H,4-5,10-11H2,1-3H3,(H2,19,20,21,23)
InChIKeyRWSQKAWHFBAQTA-UHFFFAOYSA-N
XLogP2.74
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide 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 N-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 163183487) is N-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is CC(C)(C)c1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is RWSQKAWHFBAQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-18(2,3)15-12-16(21-20-15)19-17(23)13-6-8-14(9-7-13)26(24,25)22-10-4-5-11-22/h6-9,12H,4-5,10-11H2,1-3H3,(H2,19,20,21,23).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 376.48 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 163183487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).