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

C24H31Cl2N5O — CID 91414876

IUPAC[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(diethylaminomethyl)piperidin-1-yl]methanone
SMILESCCN(CC)CC1CCCCN1C(=O)C1C(C)=Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H31Cl2N5O/c1-4-29(5-2)15-18-8-6-7-13-30(18)24(32)22-16(3)28-21-11-12-27-31(21)23(22)17-9-10-19(25)20(26)14-17/h9-12,14,18,22-23H,4-8,13,15H2,1-3H3
InChIKeyOLBNXDBGZABURL-UHFFFAOYSA-N
MW476.45 g/mol
LogP5.22
Rot. Bonds6

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

[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(diethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 91414876) has the molecular formula C24H31Cl2N5O and a molecular weight of 476.45 g/mol. Its IUPAC name is [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(diethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(diethylaminomethyl)piperidin-1-yl]methanone
PubChem CID91414876
Molecular FormulaC24H31Cl2N5O
Molecular Weight476.45 g/mol
Exact Mass475.19
IUPAC Name[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(diethylaminomethyl)piperidin-1-yl]methanone
SMILESCCN(CC)CC1CCCCN1C(=O)C1C(C)=Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H31Cl2N5O/c1-4-29(5-2)15-18-8-6-7-13-30(18)24(32)22-16(3)28-21-11-12-27-31(21)23(22)17-9-10-19(25)20(26)14-17/h9-12,14,18,22-23H,4-8,13,15H2,1-3H3
InChIKeyOLBNXDBGZABURL-UHFFFAOYSA-N
XLogP5.22
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.45
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 91592919
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(furan-3-yl)pyrrolidin-1-yl]methanone
CID 91280116
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 91288637
[2-chloro-7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 90775988
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 91543520
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 90955731
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90990875
[7-(3,4-dichlorophenyl)-5-methyl-3-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 123744750
[7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 91102748
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 91555566
N-cyclohexyl-7-(3,4-dichlorophenyl)-N-ethyl-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 91460704
[7-(4-chlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 90887296

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-(diethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(diethylaminomethyl)piperidin-1-yl]methanone (CID 91414876) is [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(diethylaminomethyl)piperidin-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-(diethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(diethylaminomethyl)piperidin-1-yl]methanone is CCN(CC)CC1CCCCN1C(=O)C1C(C)=Nc2ccnn2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(diethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is OLBNXDBGZABURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Cl2N5O/c1-4-29(5-2)15-18-8-6-7-13-30(18)24(32)22-16(3)28-21-11-12-27-31(21)23(22)17-9-10-19(25)20(26)14-17/h9-12,14,18,22-23H,4-8,13,15H2,1-3H3.
What are the key properties of [7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(diethylaminomethyl)piperidin-1-yl]methanone?
[7-(3,4-dichlorophenyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(diethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 476.45 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 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-(diethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 91414876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).