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

C28H27Cl2N5O — CID 68917663

IUPAC6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCC1)c1c(N2CCCC2)nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc12
InChIInChI=1S/C28H27Cl2N5O/c29-19-13-11-18(12-14-19)25-22(21-9-3-4-10-23(21)30)17-31-26-24(28(36)32-20-7-1-2-8-20)27(33-35(25)26)34-15-5-6-16-34/h3-4,9-14,17,20H,1-2,5-8,15-16H2,(H,32,36)
InChIKeyXCODHZAKIZQJEM-UHFFFAOYSA-N
MW520.46 g/mol
LogP6.64
Rot. Bonds5

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

6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 68917663) has the molecular formula C28H27Cl2N5O and a molecular weight of 520.46 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID68917663
Molecular FormulaC28H27Cl2N5O
Molecular Weight520.46 g/mol
Exact Mass519.16
IUPAC Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCC1)c1c(N2CCCC2)nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc12
InChIInChI=1S/C28H27Cl2N5O/c29-19-13-11-18(12-14-19)25-22(21-9-3-4-10-23(21)30)17-31-26-24(28(36)32-20-7-1-2-8-20)27(33-35(25)26)34-15-5-6-16-34/h3-4,9-14,17,20H,1-2,5-8,15-16H2,(H,32,36)
InChIKeyXCODHZAKIZQJEM-UHFFFAOYSA-N
XLogP6.64
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.46
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67272797
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(methylsulfanylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68914934
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-2-(methylsulfonylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68915485
6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[methyl(methylsulfonyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 67272832
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68920034
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 11993502
6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 173057597
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)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68923160
2-chloro-N-cyclopentylbenzamide
CID 669043
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-cyclohexylpyrazole-5-carboxamide
CID 42759394

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 68917663) is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCCC1)c1c(N2CCCC2)nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc12.
What is the InChIKey of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XCODHZAKIZQJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N5O/c29-19-13-11-18(12-14-19)25-22(21-9-3-4-10-23(21)30)17-31-26-24(28(36)32-20-7-1-2-8-20)27(33-35(25)26)34-15-5-6-16-34/h3-4,9-14,17,20H,1-2,5-8,15-16H2,(H,32,36).
What are the key properties of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 520.46 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 68917663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).