6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H16ClN5O3S — CID 173057597

IUPAC6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2c(-c3ccccc3Cl)cnc3c(C(N)=O)c(S(N)(=O)=O)nn23)cc1
InChIInChI=1S/C20H16ClN5O3S/c1-11-6-8-12(9-7-11)17-14(13-4-2-3-5-15(13)21)10-24-19-16(18(22)27)20(25-26(17)19)30(23,28)29/h2-10H,1H3,(H2,22,27)(H2,23,28,29)
InChIKeyPFLUXTGNOAXXNK-UHFFFAOYSA-N
MW441.90 g/mol
LogP2.77
Rot. Bonds4

About 6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 173057597) has the molecular formula C20H16ClN5O3S and a molecular weight of 441.90 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID173057597
Molecular FormulaC20H16ClN5O3S
Molecular Weight441.90 g/mol
Exact Mass441.07
IUPAC Name6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2c(-c3ccccc3Cl)cnc3c(C(N)=O)c(S(N)(=O)=O)nn23)cc1
InChIInChI=1S/C20H16ClN5O3S/c1-11-6-8-12(9-7-11)17-14(13-4-2-3-5-15(13)21)10-24-19-16(18(22)27)20(25-26(17)19)30(23,28)29/h2-10H,1H3,(H2,22,27)(H2,23,28,29)
InChIKeyPFLUXTGNOAXXNK-UHFFFAOYSA-N
XLogP2.77
TPSA133.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.90
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67272832
7-(4-chloro-2-fluorophenyl)-6-(2-chlorophenyl)-2-sulfamoyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87287143
7-(4-chlorophenyl)-6-(2-cyanophenyl)-N-cyclopentyl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67149187
6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(difluoromethyl)-N-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16722617
6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67272797
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68917663
6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 68915861
6-(2-chlorophenyl)-2-(difluoromethyl)-N-[(3S)-2,4-dioxothiolan-3-yl]-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87716997
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-(methylsulfonylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68915485
N-[6-(2-chlorophenyl)-3-[methyl(methylamino)carbamoyl]-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 16722826
6-(2-chlorophenyl)-2-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24772218
6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67273277

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 173057597) is 6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2c(-c3ccccc3Cl)cnc3c(C(N)=O)c(S(N)(=O)=O)nn23)cc1.
What is the InChIKey of 6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PFLUXTGNOAXXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3S/c1-11-6-8-12(9-7-11)17-14(13-4-2-3-5-15(13)21)10-24-19-16(18(22)27)20(25-26(17)19)30(23,28)29/h2-10H,1H3,(H2,22,27)(H2,23,28,29).
What are the key properties of 6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 441.90 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 173057597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).