N-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine

C24H24N4O3 — CID 69008138

IUPACN-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(C(C)C)cc1-c1cnn2ccc(N(C)c3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C24H24N4O3/c1-15(2)16-5-7-20(29-4)18(11-16)19-13-25-28-10-9-23(26-24(19)28)27(3)17-6-8-21-22(12-17)31-14-30-21/h5-13,15H,14H2,1-4H3
InChIKeyDBTXCIZMBFHHDW-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.02
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine

N-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 69008138) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID69008138
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1ccc(C(C)C)cc1-c1cnn2ccc(N(C)c3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C24H24N4O3/c1-15(2)16-5-7-20(29-4)18(11-16)19-13-25-28-10-9-23(26-24(19)28)27(3)17-6-8-21-22(12-17)31-14-30-21/h5-13,15H,14H2,1-4H3
InChIKeyDBTXCIZMBFHHDW-UHFFFAOYSA-N
XLogP5.02
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine (CID 69008138) is N-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine is COc1ccc(C(C)C)cc1-c1cnn2ccc(N(C)c3ccc4c(c3)OCO4)nc12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is DBTXCIZMBFHHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15(2)16-5-7-20(29-4)18(11-16)19-13-25-28-10-9-23(26-24(19)28)27(3)17-6-8-21-22(12-17)31-14-30-21/h5-13,15H,14H2,1-4H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
N-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 416.48 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 69008138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).