N,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene

C30H40N4O2 — CID 143598029

IUPACN,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene
SMILESC=C.CC.CCc1c(C)cc(Nc2ccn3ncc(-c4cc(C)c(CC)c(OC)c4)c3n2)cc1OC
InChIInChI=1S/C26H30N4O2.C2H6.C2H4/c1-7-20-16(3)11-18(13-23(20)31-5)22-15-27-30-10-9-25(29-26(22)30)28-19-12-17(4)21(8-2)24(14-19)32-6;2*1-2/h9-15H,7-8H2,1-6H3,(H,28,29);1-2H3;1-2H2
InChIKeyZIZQSYOTEXUDAX-UHFFFAOYSA-N
MW488.68 g/mol
LogP7.73
Rot. Bonds7

About N,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene

N,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene (PubChem CID 143598029) has the molecular formula C30H40N4O2 and a molecular weight of 488.68 g/mol. Its IUPAC name is N,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene.

Molecular Properties

Compound NameN,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene
PubChem CID143598029
Molecular FormulaC30H40N4O2
Molecular Weight488.68 g/mol
Exact Mass488.32
IUPAC NameN,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene
SMILESC=C.CC.CCc1c(C)cc(Nc2ccn3ncc(-c4cc(C)c(CC)c(OC)c4)c3n2)cc1OC
InChIInChI=1S/C26H30N4O2.C2H6.C2H4/c1-7-20-16(3)11-18(13-23(20)31-5)22-15-27-30-10-9-25(29-26(22)30)28-19-12-17(4)21(8-2)24(14-19)32-6;2*1-2/h9-15H,7-8H2,1-6H3,(H,28,29);1-2H3;1-2H2
InChIKeyZIZQSYOTEXUDAX-UHFFFAOYSA-N
XLogP7.73
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene?
The IUPAC name of N,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene (CID 143598029) is N,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene.
What is the SMILES notation for N,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene?
The canonical SMILES for N,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene is C=C.CC.CCc1c(C)cc(Nc2ccn3ncc(-c4cc(C)c(CC)c(OC)c4)c3n2)cc1OC.
What is the InChIKey of N,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene?
The InChIKey is ZIZQSYOTEXUDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2.C2H6.C2H4/c1-7-20-16(3)11-18(13-23(20)31-5)22-15-27-30-10-9-25(29-26(22)30)28-19-12-17(4)21(8-2)24(14-19)32-6;2*1-2/h9-15H,7-8H2,1-6H3,(H,28,29);1-2H3;1-2H2.
What are the key properties of N,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene?
N,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene has a molecular weight of 488.68 g/mol, XLogP of 7.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(4-ethyl-3-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;ethane;ethene is sourced from PubChem (CID 143598029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).