N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H16N4O3 — CID 19585362

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc4c(c3)OCCO4)c2n1
InChIInChI=1S/C17H16N4O3/c1-10-7-11(2)21-16(19-10)13(9-18-21)17(22)20-12-3-4-14-15(8-12)24-6-5-23-14/h3-4,7-9H,5-6H2,1-2H3,(H,20,22)
InChIKeyFYMHBWNKWMMBPY-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.37
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19585362) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19585362
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc4c(c3)OCCO4)c2n1
InChIInChI=1S/C17H16N4O3/c1-10-7-11(2)21-16(19-10)13(9-18-21)17(22)20-12-3-4-14-15(8-12)24-6-5-23-14/h3-4,7-9H,5-6H2,1-2H3,(H,20,22)
InChIKeyFYMHBWNKWMMBPY-UHFFFAOYSA-N
XLogP2.37
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19585362) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)Nc3ccc4c(c3)OCCO4)c2n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FYMHBWNKWMMBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10-7-11(2)21-16(19-10)13(9-18-21)17(22)20-12-3-4-14-15(8-12)24-6-5-23-14/h3-4,7-9H,5-6H2,1-2H3,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19585362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).