N,N-diethyl-4-[2-(9-ethylcarbazol-1-yl)-5-[2-(furan-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]aniline

C33H34N4O — CID 54109261

IUPACN,N-diethyl-4-[2-(9-ethylcarbazol-1-yl)-5-[2-(furan-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]aniline
SMILESCCN(CC)c1ccc(C2CC(C=Cc3ccco3)=NN2c2cccc3c4ccccc4n(CC)c23)cc1
InChIInChI=1S/C33H34N4O/c1-4-35(5-2)26-19-16-24(17-20-26)32-23-25(18-21-27-11-10-22-38-27)34-37(32)31-15-9-13-29-28-12-7-8-14-30(28)36(6-3)33(29)31/h7-22,32H,4-6,23H2,1-3H3
InChIKeyNFXRVCBOYZYSJG-UHFFFAOYSA-N
MW502.66 g/mol
LogP8.27
Rot. Bonds8

About N,N-diethyl-4-[2-(9-ethylcarbazol-1-yl)-5-[2-(furan-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]aniline

N,N-diethyl-4-[2-(9-ethylcarbazol-1-yl)-5-[2-(furan-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]aniline (PubChem CID 54109261) has the molecular formula C33H34N4O and a molecular weight of 502.66 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(9-ethylcarbazol-1-yl)-5-[2-(furan-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(9-ethylcarbazol-1-yl)-5-[2-(furan-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]aniline
PubChem CID54109261
Molecular FormulaC33H34N4O
Molecular Weight502.66 g/mol
Exact Mass502.27
IUPAC NameN,N-diethyl-4-[2-(9-ethylcarbazol-1-yl)-5-[2-(furan-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]aniline
SMILESCCN(CC)c1ccc(C2CC(C=Cc3ccco3)=NN2c2cccc3c4ccccc4n(CC)c23)cc1
InChIInChI=1S/C33H34N4O/c1-4-35(5-2)26-19-16-24(17-20-26)32-23-25(18-21-27-11-10-22-38-27)34-37(32)31-15-9-13-29-28-12-7-8-14-30(28)36(6-3)33(29)31/h7-22,32H,4-6,23H2,1-3H3
InChIKeyNFXRVCBOYZYSJG-UHFFFAOYSA-N
XLogP8.27
TPSA36.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(9-ethylcarbazol-1-yl)-5-[2-(furan-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]aniline?
The IUPAC name of N,N-diethyl-4-[2-(9-ethylcarbazol-1-yl)-5-[2-(furan-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]aniline (CID 54109261) is N,N-diethyl-4-[2-(9-ethylcarbazol-1-yl)-5-[2-(furan-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]aniline.
What is the SMILES notation for N,N-diethyl-4-[2-(9-ethylcarbazol-1-yl)-5-[2-(furan-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]aniline?
The canonical SMILES for N,N-diethyl-4-[2-(9-ethylcarbazol-1-yl)-5-[2-(furan-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]aniline is CCN(CC)c1ccc(C2CC(C=Cc3ccco3)=NN2c2cccc3c4ccccc4n(CC)c23)cc1.
What is the InChIKey of N,N-diethyl-4-[2-(9-ethylcarbazol-1-yl)-5-[2-(furan-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]aniline?
The InChIKey is NFXRVCBOYZYSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O/c1-4-35(5-2)26-19-16-24(17-20-26)32-23-25(18-21-27-11-10-22-38-27)34-37(32)31-15-9-13-29-28-12-7-8-14-30(28)36(6-3)33(29)31/h7-22,32H,4-6,23H2,1-3H3.
What are the key properties of N,N-diethyl-4-[2-(9-ethylcarbazol-1-yl)-5-[2-(furan-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]aniline?
N,N-diethyl-4-[2-(9-ethylcarbazol-1-yl)-5-[2-(furan-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]aniline has a molecular weight of 502.66 g/mol, XLogP of 8.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(9-ethylcarbazol-1-yl)-5-[2-(furan-2-yl)ethenyl]-3,4-dihydropyrazol-3-yl]aniline is sourced from PubChem (CID 54109261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).