9-ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole

C29H26N4O3 — CID 162661365

IUPAC9-ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole
SMILESCCn1c2ccccc2c2ccc(-c3cc4nccc(-c5cc(OC)c(OC)c(OC)c5)n4n3)cc21
InChIInChI=1S/C29H26N4O3/c1-5-32-24-9-7-6-8-20(24)21-11-10-18(14-25(21)32)22-17-28-30-13-12-23(33(28)31-22)19-15-26(34-2)29(36-4)27(16-19)35-3/h6-17H,5H2,1-4H3
InChIKeyWQPWUQHSGQSOLZ-UHFFFAOYSA-N
MW478.55 g/mol
LogP6.22
Rot. Bonds6

About 9-ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole

9-ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole (PubChem CID 162661365) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is 9-ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole.

Molecular Properties

Compound Name9-ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole
PubChem CID162661365
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC Name9-ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole
SMILESCCn1c2ccccc2c2ccc(-c3cc4nccc(-c5cc(OC)c(OC)c(OC)c5)n4n3)cc21
InChIInChI=1S/C29H26N4O3/c1-5-32-24-9-7-6-8-20(24)21-11-10-18(14-25(21)32)22-17-28-30-13-12-23(33(28)31-22)19-15-26(34-2)29(36-4)27(16-19)35-3/h6-17H,5H2,1-4H3
InChIKeyWQPWUQHSGQSOLZ-UHFFFAOYSA-N
XLogP6.22
TPSA62.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole?
The IUPAC name of 9-ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole (CID 162661365) is 9-ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole.
What is the SMILES notation for 9-ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole?
The canonical SMILES for 9-ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole is CCn1c2ccccc2c2ccc(-c3cc4nccc(-c5cc(OC)c(OC)c(OC)c5)n4n3)cc21.
What is the InChIKey of 9-ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole?
The InChIKey is WQPWUQHSGQSOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-5-32-24-9-7-6-8-20(24)21-11-10-18(14-25(21)32)22-17-28-30-13-12-23(33(28)31-22)19-15-26(34-2)29(36-4)27(16-19)35-3/h6-17H,5H2,1-4H3.
What are the key properties of 9-ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole?
9-ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole has a molecular weight of 478.55 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2-[7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbazole is sourced from PubChem (CID 162661365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).