methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate

C20H16N4O4S2 — CID 22316990

IUPACmethyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(-c3nccs3)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C20H16N4O4S2/c1-28-20(25)17-12-18(13-2-4-14(5-3-13)19-22-10-11-29-19)24(23-17)15-6-8-16(9-7-15)30(21,26)27/h2-12H,1H3,(H2,21,26,27)
InChIKeyNDFAGQSYSWXWCX-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.10
Rot. Bonds5

About methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate

methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate (PubChem CID 22316990) has the molecular formula C20H16N4O4S2 and a molecular weight of 440.51 g/mol. Its IUPAC name is methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate
PubChem CID22316990
Molecular FormulaC20H16N4O4S2
Molecular Weight440.51 g/mol
Exact Mass440.06
IUPAC Namemethyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(-c3nccs3)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C20H16N4O4S2/c1-28-20(25)17-12-18(13-2-4-14(5-3-13)19-22-10-11-29-19)24(23-17)15-6-8-16(9-7-15)30(21,26)27/h2-12H,1H3,(H2,21,26,27)
InChIKeyNDFAGQSYSWXWCX-UHFFFAOYSA-N
XLogP3.10
TPSA117.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 158834534
5-(4-methoxyphenyl)-N-methyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315479
4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
CID 162670996
N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315560
methyl 1-(4-cyanophenyl)-5-(4-methylphenyl)pyrazole-3-carboxylate
CID 118142192
2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 10003065
3-methoxycarbonyl-5-(4-methylphenyl)-1-[4-(sulfinoamino)phenyl]pyrazole
CID 71274843
methyl 1-(4-bromophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate
CID 22014681
methyl 1-(4-bromophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate
CID 43513891
5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 139726206
sodium [4-[[5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbonyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 138377475
methyl 4-chloro-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 10717305

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate (CID 22316990) is methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate is COC(=O)c1cc(-c2ccc(-c3nccs3)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate?
The InChIKey is NDFAGQSYSWXWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4S2/c1-28-20(25)17-12-18(13-2-4-14(5-3-13)19-22-10-11-29-19)24(23-17)15-6-8-16(9-7-15)30(21,26)27/h2-12H,1H3,(H2,21,26,27).
What are the key properties of methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate?
methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate has a molecular weight of 440.51 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate is sourced from PubChem (CID 22316990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).