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

C25H21ClN6O3S — CID 67149187

IUPAC7-(4-chlorophenyl)-6-(2-cyanophenyl)-N-cyclopentyl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1ccccc1-c1cnc2c(C(=O)NC3CCCC3)c(S(N)(=O)=O)nn2c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H21ClN6O3S/c26-17-11-9-15(10-12-17)22-20(19-8-4-1-5-16(19)13-27)14-29-23-21(24(33)30-18-6-2-3-7-18)25(31-32(22)23)36(28,34)35/h1,4-5,8-12,14,18H,2-3,6-7H2,(H,30,33)(H2,28,34,35)
InChIKeyZXMCKOOWSKABHH-UHFFFAOYSA-N
MW521.00 g/mol
LogP3.91
Rot. Bonds5

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

7-(4-chlorophenyl)-6-(2-cyanophenyl)-N-cyclopentyl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67149187) has the molecular formula C25H21ClN6O3S and a molecular weight of 521.00 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-6-(2-cyanophenyl)-N-cyclopentyl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(4-chlorophenyl)-6-(2-cyanophenyl)-N-cyclopentyl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67149187
Molecular FormulaC25H21ClN6O3S
Molecular Weight521.00 g/mol
Exact Mass520.11
IUPAC Name7-(4-chlorophenyl)-6-(2-cyanophenyl)-N-cyclopentyl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1ccccc1-c1cnc2c(C(=O)NC3CCCC3)c(S(N)(=O)=O)nn2c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H21ClN6O3S/c26-17-11-9-15(10-12-17)22-20(19-8-4-1-5-16(19)13-27)14-29-23-21(24(33)30-18-6-2-3-7-18)25(31-32(22)23)36(28,34)35/h1,4-5,8-12,14,18H,2-3,6-7H2,(H,30,33)(H2,28,34,35)
InChIKeyZXMCKOOWSKABHH-UHFFFAOYSA-N
XLogP3.91
TPSA143.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.00
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-6-(2-cyanophenyl)-N-cyclopentyl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(4-chlorophenyl)-6-(2-cyanophenyl)-N-cyclopentyl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67149187) is 7-(4-chlorophenyl)-6-(2-cyanophenyl)-N-cyclopentyl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(4-chlorophenyl)-6-(2-cyanophenyl)-N-cyclopentyl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(4-chlorophenyl)-6-(2-cyanophenyl)-N-cyclopentyl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide is N#Cc1ccccc1-c1cnc2c(C(=O)NC3CCCC3)c(S(N)(=O)=O)nn2c1-c1ccc(Cl)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-6-(2-cyanophenyl)-N-cyclopentyl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZXMCKOOWSKABHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN6O3S/c26-17-11-9-15(10-12-17)22-20(19-8-4-1-5-16(19)13-27)14-29-23-21(24(33)30-18-6-2-3-7-18)25(31-32(22)23)36(28,34)35/h1,4-5,8-12,14,18H,2-3,6-7H2,(H,30,33)(H2,28,34,35).
What are the key properties of 7-(4-chlorophenyl)-6-(2-cyanophenyl)-N-cyclopentyl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(4-chlorophenyl)-6-(2-cyanophenyl)-N-cyclopentyl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 521.00 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-6-(2-cyanophenyl)-N-cyclopentyl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67149187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).