3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C18H20ClN5O4S — CID 122365730

IUPAC3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1ccc(Cl)c(Nc2c(C(=O)O)cnc3c(S(=O)(=O)NC(C)(C)C)cnn23)c1
InChIInChI=1S/C18H20ClN5O4S/c1-10-5-6-12(19)13(7-10)22-15-11(17(25)26)8-20-16-14(9-21-24(15)16)29(27,28)23-18(2,3)4/h5-9,22-23H,1-4H3,(H,25,26)
InChIKeyFBQCNQDAIJXRKP-UHFFFAOYSA-N
MW437.91 g/mol
LogP3.21
Rot. Bonds5

About 3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 122365730) has the molecular formula C18H20ClN5O4S and a molecular weight of 437.91 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID122365730
Molecular FormulaC18H20ClN5O4S
Molecular Weight437.91 g/mol
Exact Mass437.09
IUPAC Name3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1ccc(Cl)c(Nc2c(C(=O)O)cnc3c(S(=O)(=O)NC(C)(C)C)cnn23)c1
InChIInChI=1S/C18H20ClN5O4S/c1-10-5-6-12(19)13(7-10)22-15-11(17(25)26)8-20-16-14(9-21-24(15)16)29(27,28)23-18(2,3)4/h5-9,22-23H,1-4H3,(H,25,26)
InChIKeyFBQCNQDAIJXRKP-UHFFFAOYSA-N
XLogP3.21
TPSA125.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(tert-butylsulfamoyl)-7-(5-chloro-2-fluoroanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 141364709
ethyl 3-(tert-butylsulfamoyl)-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 71179019
N-tert-butyl-7-(2-fluoro-5-methylanilino)-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 71179050
N-tert-butyl-7-(2,5-dichloroanilino)pyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 141305188
7-(2-chloro-5-methylanilino)-6-[6-(4-fluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-N-propylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 151921750
N-[7-(2-chloro-5-methylanilino)-6-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidin-3-yl]sulfonylpropanamide
CID 90312567
N-[7-(2-chloro-5-methylanilino)-6-(spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carbonyl)pyrazolo[1,5-a]pyrimidin-3-yl]sulfonylcyclobutanecarboxamide
CID 90312779
7-(2-chloro-5-methylanilino)-N-ethylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 141305216
methyl N-[7-(2-chloroanilino)-6-(4-phenylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyrimidin-3-yl]sulfonylcarbamate
CID 71178953
N-tert-butyl-2-chloro-5-methylbenzenesulfonamide
CID 117064126
3-(tert-butylsulfamoyl)-4-chloro-N-(4-methyl-2-pyridinyl)benzamide
CID 35344934
2-(2,5-dichloroanilino)-5-methylbenzoic acid
CID 63528661

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 122365730) is 3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1ccc(Cl)c(Nc2c(C(=O)O)cnc3c(S(=O)(=O)NC(C)(C)C)cnn23)c1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is FBQCNQDAIJXRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O4S/c1-10-5-6-12(19)13(7-10)22-15-11(17(25)26)8-20-16-14(9-21-24(15)16)29(27,28)23-18(2,3)4/h5-9,22-23H,1-4H3,(H,25,26).
What are the key properties of 3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 437.91 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-7-(2-chloro-5-methylanilino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 122365730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).