N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C16H14N4O3 — CID 110863263

IUPACN-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)Nc3ccc4c(c3)OCO4)cc(C)n2n1
InChIInChI=1S/C16H14N4O3/c1-9-5-15-18-12(6-10(2)20(15)19-9)16(21)17-11-3-4-13-14(7-11)23-8-22-13/h3-7H,8H2,1-2H3,(H,17,21)
InChIKeyXDODZBUATMVEKY-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.33
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 110863263) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID110863263
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc2nc(C(=O)Nc3ccc4c(c3)OCO4)cc(C)n2n1
InChIInChI=1S/C16H14N4O3/c1-9-5-15-18-12(6-10(2)20(15)19-9)16(21)17-11-3-4-13-14(7-11)23-8-22-13/h3-7H,8H2,1-2H3,(H,17,21)
InChIKeyXDODZBUATMVEKY-UHFFFAOYSA-N
XLogP2.33
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53179890
N-(3-chloro-4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040999
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365
N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 38766637
N-(1,3-benzodioxol-5-yl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323074
N-(1,3-benzodioxol-5-yl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109335430
3-(1,3-benzodioxol-5-ylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 4155928
N-(1,3-benzodioxol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
CID 71707580
N-(1,3-benzodioxol-5-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330122
N-(1,3-benzodioxol-5-yl)-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112848247
N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17439489
N-(1,3-benzodioxol-5-yl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506218

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 110863263) is N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cc2nc(C(=O)Nc3ccc4c(c3)OCO4)cc(C)n2n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is XDODZBUATMVEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-9-5-15-18-12(6-10(2)20(15)19-9)16(21)17-11-3-4-13-14(7-11)23-8-22-13/h3-7H,8H2,1-2H3,(H,17,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 110863263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).