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

C21H18Cl2N4O — CID 135532777

IUPACN-benzyl-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)NCc2ccccc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C21H18Cl2N4O/c1-13-19(21(28)24-12-14-5-3-2-4-6-14)20(27-18(26-13)9-10-25-27)15-7-8-16(22)17(23)11-15/h2-11,20,26H,12H2,1H3,(H,24,28)
InChIKeyBGUSFUGSGSBRQA-UHFFFAOYSA-N
MW413.31 g/mol
LogP4.80
Rot. Bonds4

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

N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135532777) has the molecular formula C21H18Cl2N4O and a molecular weight of 413.31 g/mol. Its IUPAC name is N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135532777
Molecular FormulaC21H18Cl2N4O
Molecular Weight413.31 g/mol
Exact Mass412.09
IUPAC NameN-benzyl-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)NCc2ccccc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C21H18Cl2N4O/c1-13-19(21(28)24-12-14-5-3-2-4-6-14)20(27-18(26-13)9-10-25-27)15-7-8-16(22)17(23)11-15/h2-11,20,26H,12H2,1H3,(H,24,28)
InChIKeyBGUSFUGSGSBRQA-UHFFFAOYSA-N
XLogP4.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135532777) is N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)NCc2ccccc2)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1.
What is the InChIKey of N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is BGUSFUGSGSBRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O/c1-13-19(21(28)24-12-14-5-3-2-4-6-14)20(27-18(26-13)9-10-25-27)15-7-8-16(22)17(23)11-15/h2-11,20,26H,12H2,1H3,(H,24,28).
What are the key properties of N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 413.31 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135532777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).