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

C20H22Cl2N4O — CID 135843850

IUPAC[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1=C(C(=O)N2CCCC(C)C2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C20H22Cl2N4O/c1-12-4-3-9-25(11-12)20(27)18-13(2)24-17-7-8-23-26(17)19(18)14-5-6-15(21)16(22)10-14/h5-8,10,12,19,24H,3-4,9,11H2,1-2H3
InChIKeyTZJCOIGKUXIEBA-UHFFFAOYSA-N
MW405.33 g/mol
LogP4.74
Rot. Bonds2

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

[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 135843850) has the molecular formula C20H22Cl2N4O and a molecular weight of 405.33 g/mol. Its IUPAC name is [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID135843850
Molecular FormulaC20H22Cl2N4O
Molecular Weight405.33 g/mol
Exact Mass404.12
IUPAC Name[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1=C(C(=O)N2CCCC(C)C2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C20H22Cl2N4O/c1-12-4-3-9-25(11-12)20(27)18-13(2)24-17-7-8-23-26(17)19(18)14-5-6-15(21)16(22)10-14/h5-8,10,12,19,24H,3-4,9,11H2,1-2H3
InChIKeyTZJCOIGKUXIEBA-UHFFFAOYSA-N
XLogP4.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(methoxymethoxymethyl)pyrrolidin-1-yl]methanone
CID 135843830
[7-(3,4-dichlorophenyl)-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 135843704
[2-chloro-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-[(E)-2-methoxyethenyl]pyrrolidin-1-yl]methanone
CID 142067460
tert-butyl 2-[[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonyl]-methylamino]acetate
CID 135844118
5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135843718
7-(2,3-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 135843723
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
(3,6-dichloro-2-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 43179258
[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-7-[4-(trifluoromethoxy)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]methanone
CID 135844027
(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78776798
[7-(3,4-dichlorophenyl)-6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-2-yl]-[(2S)-2-(2-pyrrolidin-1-ylethyl)pyrrolidin-1-yl]methanone
CID 142067360
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837

Frequently Asked Questions

What is the IUPAC name of [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone (CID 135843850) is [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone is CC1=C(C(=O)N2CCCC(C)C2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1.
What is the InChIKey of [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is TZJCOIGKUXIEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O/c1-12-4-3-9-25(11-12)20(27)18-13(2)24-17-7-8-23-26(17)19(18)14-5-6-15(21)16(22)10-14/h5-8,10,12,19,24H,3-4,9,11H2,1-2H3.
What are the key properties of [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone?
[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 405.33 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 135843850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).