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

C24H19Cl2F2N5O — CID 16722617

IUPAC6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(difluoromethyl)-N-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NN1CCCC1)c1c(C(F)F)nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc12
InChIInChI=1S/C24H19Cl2F2N5O/c25-15-9-7-14(8-10-15)21-17(16-5-1-2-6-18(16)26)13-29-23-19(20(22(27)28)30-33(21)23)24(34)31-32-11-3-4-12-32/h1-2,5-10,13,22H,3-4,11-12H2,(H,31,34)
InChIKeyDVZARUHPTYQMGX-UHFFFAOYSA-N
MW502.35 g/mol
LogP6.05
Rot. Bonds5

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

6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(difluoromethyl)-N-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 16722617) has the molecular formula C24H19Cl2F2N5O and a molecular weight of 502.35 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(difluoromethyl)-N-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(difluoromethyl)-N-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID16722617
Molecular FormulaC24H19Cl2F2N5O
Molecular Weight502.35 g/mol
Exact Mass501.09
IUPAC Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(difluoromethyl)-N-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NN1CCCC1)c1c(C(F)F)nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc12
InChIInChI=1S/C24H19Cl2F2N5O/c25-15-9-7-14(8-10-15)21-17(16-5-1-2-6-18(16)26)13-29-23-19(20(22(27)28)30-33(21)23)24(34)31-32-11-3-4-12-32/h1-2,5-10,13,22H,3-4,11-12H2,(H,31,34)
InChIKeyDVZARUHPTYQMGX-UHFFFAOYSA-N
XLogP6.05
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.35
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-cyclopentyl-2-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68917663
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)-2-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67272797
6-(2-chlorophenyl)-7-(4-methylphenyl)-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 173057597
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)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68920034
7-(4-chlorophenyl)-6-(2-cyanophenyl)-N-cyclopentyl-2-sulfamoylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67149187
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
7-(4-chloro-2-fluorophenyl)-6-(2-chlorophenyl)-2-sulfamoyl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87287143

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(difluoromethyl)-N-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(difluoromethyl)-N-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 16722617) is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(difluoromethyl)-N-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(difluoromethyl)-N-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(difluoromethyl)-N-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NN1CCCC1)c1c(C(F)F)nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc12.
What is the InChIKey of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(difluoromethyl)-N-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DVZARUHPTYQMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F2N5O/c25-15-9-7-14(8-10-15)21-17(16-5-1-2-6-18(16)26)13-29-23-19(20(22(27)28)30-33(21)23)24(34)31-32-11-3-4-12-32/h1-2,5-10,13,22H,3-4,11-12H2,(H,31,34).
What are the key properties of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(difluoromethyl)-N-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-(difluoromethyl)-N-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 502.35 g/mol, XLogP of 6.05, 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)-2-(difluoromethyl)-N-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16722617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).