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

C19H22Cl2N4O — CID 135843919

IUPAC7-(3,4-dichlorophenyl)-5-methyl-N-pentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCNC(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2N4O/c1-3-4-5-9-22-19(26)17-12(2)24-16-8-10-23-25(16)18(17)13-6-7-14(20)15(21)11-13/h6-8,10-11,18,24H,3-5,9H2,1-2H3,(H,22,26)
InChIKeyZHCFAJLRTANAHT-UHFFFAOYSA-N
MW393.32 g/mol
LogP4.79
Rot. Bonds6

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

7-(3,4-dichlorophenyl)-5-methyl-N-pentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135843919) has the molecular formula C19H22Cl2N4O and a molecular weight of 393.32 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-5-methyl-N-pentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-5-methyl-N-pentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135843919
Molecular FormulaC19H22Cl2N4O
Molecular Weight393.32 g/mol
Exact Mass392.12
IUPAC Name7-(3,4-dichlorophenyl)-5-methyl-N-pentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCCNC(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H22Cl2N4O/c1-3-4-5-9-22-19(26)17-12(2)24-16-8-10-23-25(16)18(17)13-6-7-14(20)15(21)11-13/h6-8,10-11,18,24H,3-5,9H2,1-2H3,(H,22,26)
InChIKeyZHCFAJLRTANAHT-UHFFFAOYSA-N
XLogP4.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-N-pentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-N-pentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135843919) is 7-(3,4-dichlorophenyl)-5-methyl-N-pentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-5-methyl-N-pentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dichlorophenyl)-5-methyl-N-pentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCCNC(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-5-methyl-N-pentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ZHCFAJLRTANAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O/c1-3-4-5-9-22-19(26)17-12(2)24-16-8-10-23-25(16)18(17)13-6-7-14(20)15(21)11-13/h6-8,10-11,18,24H,3-5,9H2,1-2H3,(H,22,26).
What are the key properties of 7-(3,4-dichlorophenyl)-5-methyl-N-pentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dichlorophenyl)-5-methyl-N-pentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 393.32 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-5-methyl-N-pentyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135843919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).