7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C24H32Cl2N4O — CID 135843739

IUPAC7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCN(CCCCC)C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H32Cl2N4O/c1-4-6-8-14-29(15-9-7-5-2)24(31)22-17(3)28-21-12-13-27-30(21)23(22)18-10-11-19(25)20(26)16-18/h10-13,16,23,28H,4-9,14-15H2,1-3H3
InChIKeyHMGXPGMZAJUVKU-UHFFFAOYSA-N
MW463.45 g/mol
LogP6.69
Rot. Bonds10

About 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135843739) has the molecular formula C24H32Cl2N4O and a molecular weight of 463.45 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135843739
Molecular FormulaC24H32Cl2N4O
Molecular Weight463.45 g/mol
Exact Mass462.20
IUPAC Name7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCN(CCCCC)C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H32Cl2N4O/c1-4-6-8-14-29(15-9-7-5-2)24(31)22-17(3)28-21-12-13-27-30(21)23(22)18-10-11-19(25)20(26)16-18/h10-13,16,23,28H,4-9,14-15H2,1-3H3
InChIKeyHMGXPGMZAJUVKU-UHFFFAOYSA-N
XLogP6.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.45
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135843758
7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135843961
5-cyclohexyl-7-(3,4-dichlorophenyl)-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135843718
tert-butyl 2-[[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonyl]-methylamino]acetate
CID 135844118
7-(3,4-dichlorophenyl)-5-methyl-N-(2-phenoxyethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135843906
[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
CID 135843850
[(7R)-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135960824
(2R)-1-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonyl]-2-methylpyrrolidin-1-ium-1-carboxylic acid
CID 136622137
[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-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 135843863
7-(3,4-dichlorophenyl)-N-ethyl-2,5-dimethyl-N-[(3-methyl-4,5-dihydro-1,2-oxazol-4-yl)sulfonyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135463485
7-(3,4-dichlorophenyl)-5-methyl-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843748

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135843739) is 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCN(CCCCC)C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HMGXPGMZAJUVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Cl2N4O/c1-4-6-8-14-29(15-9-7-5-2)24(31)22-17(3)28-21-12-13-27-30(21)23(22)18-10-11-19(25)20(26)16-18/h10-13,16,23,28H,4-9,14-15H2,1-3H3.
What are the key properties of 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 463.45 g/mol, XLogP of 6.69, 10 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-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135843739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).