1-(4-chlorophenyl)-N-cyclopropyl-N-methyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide

C20H19ClN4O3S — CID 162654091

IUPAC1-(4-chlorophenyl)-N-cyclopropyl-N-methyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide
SMILESCN(C(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)nn1-c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C20H19ClN4O3S/c1-24(15-8-9-15)20(26)19-12-18(13-2-10-17(11-3-13)29(22,27)28)23-25(19)16-6-4-14(21)5-7-16/h2-7,10-12,15H,8-9H2,1H3,(H2,22,27,28)
InChIKeySICAPHUTBHZNMU-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.07
Rot. Bonds5

About 1-(4-chlorophenyl)-N-cyclopropyl-N-methyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide

1-(4-chlorophenyl)-N-cyclopropyl-N-methyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide (PubChem CID 162654091) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclopropyl-N-methyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclopropyl-N-methyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide
PubChem CID162654091
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name1-(4-chlorophenyl)-N-cyclopropyl-N-methyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide
SMILESCN(C(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)nn1-c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C20H19ClN4O3S/c1-24(15-8-9-15)20(26)19-12-18(13-2-10-17(11-3-13)29(22,27)28)23-25(19)16-6-4-14(21)5-7-16/h2-7,10-12,15H,8-9H2,1H3,(H2,22,27,28)
InChIKeySICAPHUTBHZNMU-UHFFFAOYSA-N
XLogP3.07
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
n-(3-Chlorophenyl)-[1-(4-aminosulfonylphenyl)-5-(4-fluorophenyl)-1h-pyrazol-3-yl]carboxamide
CID 15485784
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 150503533
4-[5-(3-Chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155514890
4-[5-(3-Chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155546386
4-[5-(4-Chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155555889
4-[5-(4-Chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155560713
1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide
CID 164622282
[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
CID 2710663
1-[4-[4-[4-(4-Chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 4854936
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(diethylsulfamoyl)benzamide
CID 6892772
[4-(Benzenesulfonyl)piperazin-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone
CID 16327075

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclopropyl-N-methyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclopropyl-N-methyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide (CID 162654091) is 1-(4-chlorophenyl)-N-cyclopropyl-N-methyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclopropyl-N-methyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclopropyl-N-methyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide is CN(C(=O)c1cc(-c2ccc(S(N)(=O)=O)cc2)nn1-c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclopropyl-N-methyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide?
The InChIKey is SICAPHUTBHZNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-24(15-8-9-15)20(26)19-12-18(13-2-10-17(11-3-13)29(22,27)28)23-25(19)16-6-4-14(21)5-7-16/h2-7,10-12,15H,8-9H2,1H3,(H2,22,27,28).
What are the key properties of 1-(4-chlorophenyl)-N-cyclopropyl-N-methyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide?
1-(4-chlorophenyl)-N-cyclopropyl-N-methyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide has a molecular weight of 430.92 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclopropyl-N-methyl-3-(4-sulfamoylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 162654091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).