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

C18H18N4O4S — CID 50751687

IUPAC3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccccc3C)[nH]n2)cc1S(N)(=O)=O
InChIInChI=1S/C18H18N4O4S/c1-11-5-3-4-6-13(11)20-18(23)15-10-14(21-22-15)12-7-8-16(26-2)17(9-12)27(19,24)25/h3-10H,1-2H3,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyHVZVFBFAFUUJKG-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.29
Rot. Bonds5

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

3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 50751687) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID50751687
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccccc3C)[nH]n2)cc1S(N)(=O)=O
InChIInChI=1S/C18H18N4O4S/c1-11-5-3-4-6-13(11)20-18(23)15-10-14(21-22-15)12-7-8-16(26-2)17(9-12)27(19,24)25/h3-10H,1-2H3,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyHVZVFBFAFUUJKG-UHFFFAOYSA-N
XLogP2.29
TPSA127.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-3-(4-methoxy-3-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 50751701
N-(4-methoxy-3-sulfamoylphenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889356
3-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 50751814
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
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
N-benzyl-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
CID 50751622
3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19509351
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 26069017
3-(2-methoxyphenyl)-N-(2-methyl-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 75512411

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide (CID 50751687) is 3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccccc3C)[nH]n2)cc1S(N)(=O)=O.
What is the InChIKey of 3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is HVZVFBFAFUUJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-11-5-3-4-6-13(11)20-18(23)15-10-14(21-22-15)12-7-8-16(26-2)17(9-12)27(19,24)25/h3-10H,1-2H3,(H,20,23)(H,21,22)(H2,19,24,25).
What are the key properties of 3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide?
3-(4-methoxy-3-sulfamoylphenyl)-N-(2-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 2.29, 5 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-(2-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50751687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).