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

C17H18Cl2N4O — CID 135443450

IUPAC7-(3,4-dichlorophenyl)-5-methyl-N-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCNC(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N4O/c1-3-7-20-17(24)15-10(2)22-14-6-8-21-23(14)16(15)11-4-5-12(18)13(19)9-11/h4-6,8-9,16,22H,3,7H2,1-2H3,(H,20,24)
InChIKeyMZEOZHLMYVJVFI-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.01
Rot. Bonds4

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

7-(3,4-dichlorophenyl)-5-methyl-N-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135443450) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-5-methyl-N-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-5-methyl-N-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135443450
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC Name7-(3,4-dichlorophenyl)-5-methyl-N-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCNC(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N4O/c1-3-7-20-17(24)15-10(2)22-14-6-8-21-23(14)16(15)11-4-5-12(18)13(19)9-11/h4-6,8-9,16,22H,3,7H2,1-2H3,(H,20,24)
InChIKeyMZEOZHLMYVJVFI-UHFFFAOYSA-N
XLogP4.01
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-N-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(3,4-dichlorophenyl)-5-methyl-N-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135443450) is 7-(3,4-dichlorophenyl)-5-methyl-N-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-5-methyl-N-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(3,4-dichlorophenyl)-5-methyl-N-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCNC(=O)C1=C(C)Nc2ccnn2C1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-5-methyl-N-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is MZEOZHLMYVJVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c1-3-7-20-17(24)15-10(2)22-14-6-8-21-23(14)16(15)11-4-5-12(18)13(19)9-11/h4-6,8-9,16,22H,3,7H2,1-2H3,(H,20,24).
What are the key properties of 7-(3,4-dichlorophenyl)-5-methyl-N-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(3,4-dichlorophenyl)-5-methyl-N-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 365.26 g/mol, XLogP of 4.01, 4 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-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135443450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).