1-(3-chlorophenyl)-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

C26H23ClN6O6S — CID 83276595

IUPAC1-(3-chlorophenyl)-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCc1c(C(=O)NCc2cccnc2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C26H23ClN6O6S/c1-16-24(25(34)29-15-17-4-3-11-28-14-17)30-32(20-6-2-5-18(27)12-20)26(16)39-22-10-9-21(33(35)36)13-23(22)40(37,38)31-19-7-8-19/h2-6,9-14,19,31H,7-8,15H2,1H3,(H,29,34)
InChIKeyIRAZZLINQOOMGY-UHFFFAOYSA-N
MW583.03 g/mol
LogP4.30
Rot. Bonds10

About 1-(3-chlorophenyl)-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

1-(3-chlorophenyl)-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 83276595) has the molecular formula C26H23ClN6O6S and a molecular weight of 583.03 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID83276595
Molecular FormulaC26H23ClN6O6S
Molecular Weight583.03 g/mol
Exact Mass582.11
IUPAC Name1-(3-chlorophenyl)-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCc1c(C(=O)NCc2cccnc2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C26H23ClN6O6S/c1-16-24(25(34)29-15-17-4-3-11-28-14-17)30-32(20-6-2-5-18(27)12-20)26(16)39-22-10-9-21(33(35)36)13-23(22)40(37,38)31-19-7-8-19/h2-6,9-14,19,31H,7-8,15H2,1H3,(H,29,34)
InChIKeyIRAZZLINQOOMGY-UHFFFAOYSA-N
XLogP4.30
TPSA158.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.03
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 83276602
5-[2-(butan-2-ylsulfamoyl)-4-nitrophenoxy]-4-methyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 83276580
5-[2-[[(2S)-butan-2-yl]sulfamoyl]-4-nitrophenoxy]-4-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 98371113
5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-1-(4-methylphenyl)-N-propylpyrazole-3-carboxamide
CID 83281869
5-[2-(butan-2-ylsulfamoyl)-4-nitrophenoxy]-1-(3-chlorophenyl)-4-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 83276573
5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-(3-fluorophenyl)-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 98766659
5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-1-(2,3-dimethylphenyl)-N-(2-methoxyethyl)-4-methylpyrazole-3-carboxamide
CID 83283952
5-[2-[[(2S)-butan-2-yl]sulfamoyl]-4-nitrophenoxy]-1-(3-chlorophenyl)-N-(2-methoxyethyl)-4-methylpyrazole-3-carboxamide
CID 98444990
5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-N-(4-fluorophenyl)-4-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 83277458
4-methyl-N-(2-methylpropyl)-5-[2-(2-methylpropylsulfamoyl)-4-nitrophenoxy]-1-phenylpyrazole-3-carboxamide
CID 83286209
1-(4-chlorophenyl)-4-methyl-N-(2-methylpropyl)-5-[4-nitro-2-(propan-2-ylsulfamoyl)phenoxy]pyrazole-3-carboxamide
CID 83276526
5-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-nitrophenoxy]-4-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 99666964

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (CID 83276595) is 1-(3-chlorophenyl)-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is Cc1c(C(=O)NCc2cccnc2)nn(-c2cccc(Cl)c2)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 1-(3-chlorophenyl)-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is IRAZZLINQOOMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O6S/c1-16-24(25(34)29-15-17-4-3-11-28-14-17)30-32(20-6-2-5-18(27)12-20)26(16)39-22-10-9-21(33(35)36)13-23(22)40(37,38)31-19-7-8-19/h2-6,9-14,19,31H,7-8,15H2,1H3,(H,29,34).
What are the key properties of 1-(3-chlorophenyl)-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
1-(3-chlorophenyl)-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 583.03 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-[2-(cyclopropylsulfamoyl)-4-nitrophenoxy]-4-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 83276595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).