4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate

C17H14N3O4S- — CID 18914586

IUPAC4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate
SMILESCc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)n[nH]c2C(=O)[O-])cc1
InChIInChI=1S/C17H15N3O4S/c1-10-2-4-11(5-3-10)14-15(19-20-16(14)17(21)22)12-6-8-13(9-7-12)25(18,23)24/h2-9H,1H3,(H,19,20)(H,21,22)(H2,18,23,24)/p-1
InChIKeyDBPRVJWMTFYOMO-UHFFFAOYSA-M
MW356.38 g/mol
LogP1.06
Rot. Bonds4

About 4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate

4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate (PubChem CID 18914586) has the molecular formula C17H14N3O4S- and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate
PubChem CID18914586
Molecular FormulaC17H14N3O4S-
Molecular Weight356.38 g/mol
Exact Mass356.07
IUPAC Name4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate
SMILESCc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)n[nH]c2C(=O)[O-])cc1
InChIInChI=1S/C17H15N3O4S/c1-10-2-4-11(5-3-10)14-15(19-20-16(14)17(21)22)12-6-8-13(9-7-12)25(18,23)24/h2-9H,1H3,(H,19,20)(H,21,22)(H2,18,23,24)/p-1
InChIKeyDBPRVJWMTFYOMO-UHFFFAOYSA-M
XLogP1.06
TPSA128.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 19355558
4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide
CID 177458625
4-[4-(4-chlorophenyl)-5-ethyl-1H-pyrazol-3-yl]benzenesulfonamide
CID 19355219
bis(4-methylbenzenesulfonamide);selane
CID 173300479
methane;4-methylbenzenesulfonamide
CID 66673954
4-[5-(2-hydroxyethyl)-3-pyridin-4-yl-1H-pyrazol-4-yl]benzenesulfonamide
CID 67683899
4-[1-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 19355442
4-[5-[chloro(difluoro)methyl]-4-(4-chlorophenyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 19355357
ethyl 3,5-bis(4-methylphenyl)-4-oxo-1H-pyridazine-6-carboxylate
CID 132961393
aminourea;4-methylbenzenesulfonamide
CID 174801132
3,4-bis(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 174872476
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of 4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate (CID 18914586) is 4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for 4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for 4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate is Cc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)n[nH]c2C(=O)[O-])cc1.
What is the InChIKey of 4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate?
The InChIKey is DBPRVJWMTFYOMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H15N3O4S/c1-10-2-4-11(5-3-10)14-15(19-20-16(14)17(21)22)12-6-8-13(9-7-12)25(18,23)24/h2-9H,1H3,(H,19,20)(H,21,22)(H2,18,23,24)/p-1.
What are the key properties of 4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate?
4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 18914586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).