3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide

C20H22N4O4S — CID 50751814

IUPAC3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)[nH]n2)cc1S(N)(=O)=O
InChIInChI=1S/C20H22N4O4S/c1-12(2)13-4-7-15(8-5-13)22-20(25)17-11-16(23-24-17)14-6-9-18(28-3)19(10-14)29(21,26)27/h4-12H,1-3H3,(H,22,25)(H,23,24)(H2,21,26,27)
InChIKeyWMUJKUKSRFPFOU-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.11
Rot. Bonds6

About 3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide

3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 50751814) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID50751814
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)[nH]n2)cc1S(N)(=O)=O
InChIInChI=1S/C20H22N4O4S/c1-12(2)13-4-7-15(8-5-13)22-20(25)17-11-16(23-24-17)14-6-9-18(28-3)19(10-14)29(21,26)27/h4-12H,1-3H3,(H,22,25)(H,23,24)(H2,21,26,27)
InChIKeyWMUJKUKSRFPFOU-UHFFFAOYSA-N
XLogP3.11
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-3-sulfamoylphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889356
3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 50751687
N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 50751701
3-(4-methoxy-3-sulfamoylphenyl)-N-[(4-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 50751661
N-(4-bromo-3-methylphenyl)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 50751783
N-(4-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751739
N-(3-chloro-4-fluorophenyl)-3-[3-(ethylsulfamoyl)-4-methoxyphenyl]-1H-pyrazole-5-carboxamide
CID 50751786
N-(3-chloro-4-fluorophenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 50751820
3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 45030518
N-(4-methoxy-3-sulfamoylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 78611118
5-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)pyrazolidine-3-carboxamide
CID 75543396
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-propan-2-ylbenzamide
CID 9106497

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide (CID 50751814) is 3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)[nH]n2)cc1S(N)(=O)=O.
What is the InChIKey of 3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WMUJKUKSRFPFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-12(2)13-4-7-15(8-5-13)22-20(25)17-11-16(23-24-17)14-6-9-18(28-3)19(10-14)29(21,26)27/h4-12H,1-3H3,(H,22,25)(H,23,24)(H2,21,26,27).
What are the key properties of 3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide?
3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50751814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).