5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide

C15H17BrN4O4S — CID 167936199

IUPAC5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)[nH]n2)ccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H17BrN4O4S/c1-24-12-8-10(17-15(21)11-9-14(16)19-18-11)4-5-13(12)25(22,23)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,21)(H,18,19)
InChIKeyOXIBLMSWQJJSOO-UHFFFAOYSA-N
MW429.30 g/mol
LogP2.22
Rot. Bonds5

About 5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide

5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide (PubChem CID 167936199) has the molecular formula C15H17BrN4O4S and a molecular weight of 429.30 g/mol. Its IUPAC name is 5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide
PubChem CID167936199
Molecular FormulaC15H17BrN4O4S
Molecular Weight429.30 g/mol
Exact Mass428.02
IUPAC Name5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Br)[nH]n2)ccc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C15H17BrN4O4S/c1-24-12-8-10(17-15(21)11-9-14(16)19-18-11)4-5-13(12)25(22,23)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,21)(H,18,19)
InChIKeyOXIBLMSWQJJSOO-UHFFFAOYSA-N
XLogP2.22
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-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

3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119327443
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyridine-2-carboxamide
CID 4811508
2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
CID 119790374
2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
CID 119327459
N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751820
N-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 13458385
4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
CID 120562885
N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
CID 23969465
N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)morpholine-2-carboxamide
CID 119790367
N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751739
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
N-(3-chloro-4-methylphenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2665878

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide (CID 167936199) is 5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide is COc1cc(NC(=O)c2cc(Br)[nH]n2)ccc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is OXIBLMSWQJJSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O4S/c1-24-12-8-10(17-15(21)11-9-14(16)19-18-11)4-5-13(12)25(22,23)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,21)(H,18,19).
What are the key properties of 5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide?
5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 429.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167936199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).