5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide

C20H20ClN5O3S — CID 139726206

IUPAC5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NN3CCCC3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClN5O3S/c21-15-5-3-14(4-6-15)19-13-18(20(27)24-25-11-1-2-12-25)23-26(19)16-7-9-17(10-8-16)30(22,28)29/h3-10,13H,1-2,11-12H2,(H,24,27)(H2,22,28,29)
InChIKeyOXCDHDVALJUEBD-UHFFFAOYSA-N
MW445.93 g/mol
LogP2.58
Rot. Bonds5

About 5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide

5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 139726206) has the molecular formula C20H20ClN5O3S and a molecular weight of 445.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID139726206
Molecular FormulaC20H20ClN5O3S
Molecular Weight445.93 g/mol
Exact Mass445.10
IUPAC Name5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)NN3CCCC3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClN5O3S/c21-15-5-3-14(4-6-15)19-13-18(20(27)24-25-11-1-2-12-25)23-26(19)16-7-9-17(10-8-16)30(22,28)29/h3-10,13H,1-2,11-12H2,(H,24,27)(H2,22,28,29)
InChIKeyOXCDHDVALJUEBD-UHFFFAOYSA-N
XLogP2.58
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315560
2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 10003065
4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide
CID 162668569
4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide
CID 162668414
ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 158834534
bis[(4-bromophenyl)-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]methoxy]-oxophosphanium
CID 175023474
1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238
2-[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]acetic acid
CID 12052546
5-(4-methoxyphenyl)-N-methyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315479
3-morpholin-4-ylpropyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 155527852
[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazol-3-yl]methanesulfinic acid
CID 137462338
[4-[1-(2,4-dichlorophenyl)-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]phenyl] propane-1-sulfonate
CID 11284072

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide (CID 139726206) is 5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)NN3CCCC3)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is OXCDHDVALJUEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O3S/c21-15-5-3-14(4-6-15)19-13-18(20(27)24-25-11-1-2-12-25)23-26(19)16-7-9-17(10-8-16)30(22,28)29/h3-10,13H,1-2,11-12H2,(H,24,27)(H2,22,28,29).
What are the key properties of 5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide?
5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 445.93 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 139726206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).