9-ethyl-3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]carbazole

C26H27N3O3 — CID 171353919

IUPAC9-ethyl-3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]carbazole
SMILESCCn1c2ccccc2c2cc(C3CC(c4cc(OC)c(OC)c(OC)c4)=NN3)ccc21
InChIInChI=1S/C26H27N3O3/c1-5-29-22-9-7-6-8-18(22)19-12-16(10-11-23(19)29)20-15-21(28-27-20)17-13-24(30-2)26(32-4)25(14-17)31-3/h6-14,20,27H,5,15H2,1-4H3
InChIKeyOUIUZXYRFHAJCS-UHFFFAOYSA-N
MW429.52 g/mol
LogP5.28
Rot. Bonds6

About 9-ethyl-3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]carbazole

9-ethyl-3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]carbazole (PubChem CID 171353919) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 9-ethyl-3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]carbazole
PubChem CID171353919
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name9-ethyl-3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]carbazole
SMILESCCn1c2ccccc2c2cc(C3CC(c4cc(OC)c(OC)c(OC)c4)=NN3)ccc21
InChIInChI=1S/C26H27N3O3/c1-5-29-22-9-7-6-8-18(22)19-12-16(10-11-23(19)29)20-15-21(28-27-20)17-13-24(30-2)26(32-4)25(14-17)31-3/h6-14,20,27H,5,15H2,1-4H3
InChIKeyOUIUZXYRFHAJCS-UHFFFAOYSA-N
XLogP5.28
TPSA57.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]carbazole?
The IUPAC name of 9-ethyl-3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]carbazole (CID 171353919) is 9-ethyl-3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]carbazole.
What is the SMILES notation for 9-ethyl-3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]carbazole?
The canonical SMILES for 9-ethyl-3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]carbazole is CCn1c2ccccc2c2cc(C3CC(c4cc(OC)c(OC)c(OC)c4)=NN3)ccc21.
What is the InChIKey of 9-ethyl-3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]carbazole?
The InChIKey is OUIUZXYRFHAJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-5-29-22-9-7-6-8-18(22)19-12-16(10-11-23(19)29)20-15-21(28-27-20)17-13-24(30-2)26(32-4)25(14-17)31-3/h6-14,20,27H,5,15H2,1-4H3.
What are the key properties of 9-ethyl-3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]carbazole?
9-ethyl-3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]carbazole has a molecular weight of 429.52 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]carbazole is sourced from PubChem (CID 171353919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).