4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide

C18H17ClN4O3S — CID 19355201

IUPAC4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESCN(C)C(=O)c1[nH]nc(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O3S/c1-23(2)18(24)17-15(11-3-7-13(19)8-4-11)16(21-22-17)12-5-9-14(10-6-12)27(20,25)26/h3-10H,1-2H3,(H,21,22)(H2,20,25,26)
InChIKeyILSQAYHBDCDNJC-UHFFFAOYSA-N
MW404.88 g/mol
LogP2.75
Rot. Bonds4

About 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide

4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19355201) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19355201
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Name4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
SMILESCN(C)C(=O)c1[nH]nc(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O3S/c1-23(2)18(24)17-15(11-3-7-13(19)8-4-11)16(21-22-17)12-5-9-14(10-6-12)27(20,25)26/h3-10H,1-2H3,(H,21,22)(H2,20,25,26)
InChIKeyILSQAYHBDCDNJC-UHFFFAOYSA-N
XLogP2.75
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide (CID 19355201) is 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide is CN(C)C(=O)c1[nH]nc(-c2ccc(S(N)(=O)=O)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ILSQAYHBDCDNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c1-23(2)18(24)17-15(11-3-7-13(19)8-4-11)16(21-22-17)12-5-9-14(10-6-12)27(20,25)26/h3-10H,1-2H3,(H,21,22)(H2,20,25,26).
What are the key properties of 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide?
4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 404.88 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N,N-dimethyl-3-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19355201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).