5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C14H11ClN4O4S — CID 90695589

IUPAC5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCS(=O)(=O)Nc1nn2ccc(-c3ccc(Cl)cc3)nc2c1C(=O)O
InChIInChI=1S/C14H11ClN4O4S/c1-24(22,23)18-12-11(14(20)21)13-16-10(6-7-19(13)17-12)8-2-4-9(15)5-3-8/h2-7H,1H3,(H,17,18)(H,20,21)
InChIKeyZOXIDMCNIYOSBW-UHFFFAOYSA-N
MW366.79 g/mol
LogP2.12
Rot. Bonds4

About 5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 90695589) has the molecular formula C14H11ClN4O4S and a molecular weight of 366.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID90695589
Molecular FormulaC14H11ClN4O4S
Molecular Weight366.79 g/mol
Exact Mass366.02
IUPAC Name5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCS(=O)(=O)Nc1nn2ccc(-c3ccc(Cl)cc3)nc2c1C(=O)O
InChIInChI=1S/C14H11ClN4O4S/c1-24(22,23)18-12-11(14(20)21)13-16-10(6-7-19(13)17-12)8-2-4-9(15)5-3-8/h2-7H,1H3,(H,17,18)(H,20,21)
InChIKeyZOXIDMCNIYOSBW-UHFFFAOYSA-N
XLogP2.12
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.79
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 90695589) is 5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CS(=O)(=O)Nc1nn2ccc(-c3ccc(Cl)cc3)nc2c1C(=O)O.
What is the InChIKey of 5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is ZOXIDMCNIYOSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O4S/c1-24(22,23)18-12-11(14(20)21)13-16-10(6-7-19(13)17-12)8-2-4-9(15)5-3-8/h2-7H,1H3,(H,17,18)(H,20,21).
What are the key properties of 5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 366.79 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(methanesulfonamido)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 90695589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).