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

C18H20Cl2N4O — CID 135843758

IUPAC7-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N4O/c1-4-23(5-2)18(25)16-11(3)22-15-8-9-21-24(15)17(16)12-6-7-13(19)14(20)10-12/h6-10,17,22H,4-5H2,1-3H3
InChIKeyVTNIUHPPRHPOSS-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.35
Rot. Bonds4

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

7-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135843758) has the molecular formula C18H20Cl2N4O and a molecular weight of 379.29 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135843758
Molecular FormulaC18H20Cl2N4O
Molecular Weight379.29 g/mol
Exact Mass378.10
IUPAC Name7-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N4O/c1-4-23(5-2)18(25)16-11(3)22-15-8-9-21-24(15)17(16)12-6-7-13(19)14(20)10-12/h6-10,17,22H,4-5H2,1-3H3
InChIKeyVTNIUHPPRHPOSS-UHFFFAOYSA-N
XLogP4.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3,4-dichlorophenyl)-N-ethyl-N-(2-methoxyethyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135843961
7-(3,4-dichlorophenyl)-5-methyl-N,N-dipentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135843739
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-(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
[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[2-(methoxymethoxymethyl)pyrrolidin-1-yl]methanone
CID 135843830
(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-6-(1,3,6-trimethylimidazo[4,5-d]pyrazol-5-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843748
[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

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135843758) is 7-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CCN(CC)C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is VTNIUHPPRHPOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O/c1-4-23(5-2)18(25)16-11(3)22-15-8-9-21-24(15)17(16)12-6-7-13(19)14(20)10-12/h6-10,17,22H,4-5H2,1-3H3.
What are the key properties of 7-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 379.29 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-N,N-diethyl-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135843758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).