[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone

C24H21Cl2FN4O — CID 91592919

IUPAC[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCC1=Nc2ccnn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C24H21Cl2FN4O/c1-14-22(24(32)30-12-2-3-20(30)15-4-7-17(27)8-5-15)23(31-21(29-14)10-11-28-31)16-6-9-18(25)19(26)13-16/h4-11,13,20,22-23H,2-3,12H2,1H3
InChIKeyHLUPWWBAEWIMAO-UHFFFAOYSA-N
MW471.36 g/mol
LogP6.00
Rot. Bonds3

About [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone

[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 91592919) has the molecular formula C24H21Cl2FN4O and a molecular weight of 471.36 g/mol. Its IUPAC name is [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID91592919
Molecular FormulaC24H21Cl2FN4O
Molecular Weight471.36 g/mol
Exact Mass470.11
IUPAC Name[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCC1=Nc2ccnn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C24H21Cl2FN4O/c1-14-22(24(32)30-12-2-3-20(30)15-4-7-17(27)8-5-15)23(31-21(29-14)10-11-28-31)16-6-9-18(25)19(26)13-16/h4-11,13,20,22-23H,2-3,12H2,1H3
InChIKeyHLUPWWBAEWIMAO-UHFFFAOYSA-N
XLogP6.00
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.36
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone (CID 91592919) is [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone is CC1=Nc2ccnn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is HLUPWWBAEWIMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2FN4O/c1-14-22(24(32)30-12-2-3-20(30)15-4-7-17(27)8-5-15)23(31-21(29-14)10-11-28-31)16-6-9-18(25)19(26)13-16/h4-11,13,20,22-23H,2-3,12H2,1H3.
What are the key properties of [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 471.36 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91592919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).