N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

C24H24N4O2 — CID 143598102

IUPACN-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESC=C(C)c1cccc(-c2cnn3ccc(Nc4cc(C)c(OC)c(OC)c4)nc23)c1
InChIInChI=1S/C24H24N4O2/c1-15(2)17-7-6-8-18(12-17)20-14-25-28-10-9-22(27-24(20)28)26-19-11-16(3)23(30-5)21(13-19)29-4/h6-14H,1H2,2-5H3,(H,26,27)
InChIKeyRAXWJZALSGRUNH-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.50
Rot. Bonds6

About N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 143598102) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID143598102
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESC=C(C)c1cccc(-c2cnn3ccc(Nc4cc(C)c(OC)c(OC)c4)nc23)c1
InChIInChI=1S/C24H24N4O2/c1-15(2)17-7-6-8-18(12-17)20-14-25-28-10-9-22(27-24(20)28)26-19-11-16(3)23(30-5)21(13-19)29-4/h6-14H,1H2,2-5H3,(H,26,27)
InChIKeyRAXWJZALSGRUNH-UHFFFAOYSA-N
XLogP5.50
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 143598102) is N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is C=C(C)c1cccc(-c2cnn3ccc(Nc4cc(C)c(OC)c(OC)c4)nc23)c1.
What is the InChIKey of N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is RAXWJZALSGRUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15(2)17-7-6-8-18(12-17)20-14-25-28-10-9-22(27-24(20)28)26-19-11-16(3)23(30-5)21(13-19)29-4/h6-14H,1H2,2-5H3,(H,26,27).
What are the key properties of N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 400.48 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 143598102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).