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

C20H24Cl2N4O — CID 135532763

IUPAC7-(3,4-dichlorophenyl)-5-methyl-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCN(CCC)C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H24Cl2N4O/c1-4-10-25(11-5-2)20(27)18-13(3)24-17-8-9-23-26(17)19(18)14-6-7-15(21)16(22)12-14/h6-9,12,19,24H,4-5,10-11H2,1-3H3
InChIKeyNGUGUHKJDYAZIS-UHFFFAOYSA-N
MW407.35 g/mol
LogP5.13
Rot. Bonds6

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

7-(3,4-dichlorophenyl)-5-methyl-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135532763) has the molecular formula C20H24Cl2N4O and a molecular weight of 407.35 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-5-methyl-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135532763
Molecular FormulaC20H24Cl2N4O
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name7-(3,4-dichlorophenyl)-5-methyl-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCN(CCC)C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H24Cl2N4O/c1-4-10-25(11-5-2)20(27)18-13(3)24-17-8-9-23-26(17)19(18)14-6-7-15(21)16(22)12-14/h6-9,12,19,24H,4-5,10-11H2,1-3H3
InChIKeyNGUGUHKJDYAZIS-UHFFFAOYSA-N
XLogP5.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.35
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135532763) is 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCN(CCC)C(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is NGUGUHKJDYAZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O/c1-4-10-25(11-5-2)20(27)18-13(3)24-17-8-9-23-26(17)19(18)14-6-7-15(21)16(22)12-14/h6-9,12,19,24H,4-5,10-11H2,1-3H3.
What are the key properties of 7-(3,4-dichlorophenyl)-5-methyl-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dichlorophenyl)-5-methyl-N,N-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 407.35 g/mol, XLogP of 5.13, 6 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-dipropyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135532763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).