1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

C20H21ClN4O4S — CID 55585196

IUPAC1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C20H21ClN4O4S/c1-12(2)19-16(11-23-25(19)15-7-4-13(21)5-8-15)20(26)24-14-6-9-17(29-3)18(10-14)30(22,27)28/h4-12H,1-3H3,(H,24,26)(H2,22,27,28)
InChIKeyNARNNJUZSFAYFD-UHFFFAOYSA-N
MW448.93 g/mol
LogP3.56
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 55585196) has the molecular formula C20H21ClN4O4S and a molecular weight of 448.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID55585196
Molecular FormulaC20H21ClN4O4S
Molecular Weight448.93 g/mol
Exact Mass448.10
IUPAC Name1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C20H21ClN4O4S/c1-12(2)19-16(11-23-25(19)15-7-4-13(21)5-8-15)20(26)24-14-6-9-17(29-3)18(10-14)30(22,27)28/h4-12H,1-3H3,(H,24,26)(H2,22,27,28)
InChIKeyNARNNJUZSFAYFD-UHFFFAOYSA-N
XLogP3.56
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 37081472
1-(4-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 43057524
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31814455
3,5-dichloro-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 26929610
N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 56581255
1-(4-chlorophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 39694176
1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide
CID 46671387
N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55957523
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119383145
N-(4-methoxy-3-sulfamoylphenyl)-2H-triazole-4-carboxamide
CID 112733236
N-(3,4-dichlorophenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36859467
1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 46579031

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 55585196) is 1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is NARNNJUZSFAYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S/c1-12(2)19-16(11-23-25(19)15-7-4-13(21)5-8-15)20(26)24-14-6-9-17(29-3)18(10-14)30(22,27)28/h4-12H,1-3H3,(H,24,26)(H2,22,27,28).
What are the key properties of 1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 448.93 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55585196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).