5-methyl-2-piperidin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

C22H25N5O3S — CID 10928313

IUPAC5-methyl-2-piperidin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(C2CCCNC2)n1
InChIInChI=1S/C22H25N5O3S/c1-15-13-20(27(26-15)18-5-4-12-24-14-18)22(28)25-17-10-8-16(9-11-17)19-6-2-3-7-21(19)31(23,29)30/h2-3,6-11,13,18,24H,4-5,12,14H2,1H3,(H,25,28)(H2,23,29,30)
InChIKeyODQOVPZYTCNITC-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.68
Rot. Bonds5

About 5-methyl-2-piperidin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

5-methyl-2-piperidin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (PubChem CID 10928313) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 5-methyl-2-piperidin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-piperidin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
PubChem CID10928313
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name5-methyl-2-piperidin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(C2CCCNC2)n1
InChIInChI=1S/C22H25N5O3S/c1-15-13-20(27(26-15)18-5-4-12-24-14-18)22(28)25-17-10-8-16(9-11-17)19-6-2-3-7-21(19)31(23,29)30/h2-3,6-11,13,18,24H,4-5,12,14H2,1H3,(H,25,28)(H2,23,29,30)
InChIKeyODQOVPZYTCNITC-UHFFFAOYSA-N
XLogP2.68
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Dpc-423
CID 9937921
1-(3-carbamimidoylphenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 9869498
1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 9895762
Dpc-602
CID 9915041
1-[3-(aminomethyl)phenyl]-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10769476
1-(3-cyanophenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10790019
1-(2-aminophenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 10906426
1-(3-aminophenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11048586
1-(3-carbamoylphenyl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11049038
1-[3-(dihydroxyboranyl)phenyl]-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11826875
1-Methyl-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 16122506
2-(3-Aminomethyl-phenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (3-fluoro-2''-sulfamoyl-biphenyl-4-yl)-amide
CID 9830932

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperidin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-2-piperidin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide (CID 10928313) is 5-methyl-2-piperidin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-2-piperidin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-2-piperidin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(C2CCCNC2)n1.
What is the InChIKey of 5-methyl-2-piperidin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is ODQOVPZYTCNITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-15-13-20(27(26-15)18-5-4-12-24-14-18)22(28)25-17-10-8-16(9-11-17)19-6-2-3-7-21(19)31(23,29)30/h2-3,6-11,13,18,24H,4-5,12,14H2,1H3,(H,25,28)(H2,23,29,30).
What are the key properties of 5-methyl-2-piperidin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide?
5-methyl-2-piperidin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-3-yl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 10928313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).