2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline

C23H23N3 — CID 141434831

IUPAC2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline
SMILESCCNc1ccccc1C1C(c2ccccc2)=NNC1c1ccccc1
InChIInChI=1S/C23H23N3/c1-2-24-20-16-10-9-15-19(20)21-22(17-11-5-3-6-12-17)25-26-23(21)18-13-7-4-8-14-18/h3-16,21-22,24-25H,2H2,1H3
InChIKeyNPFWMYZZHJGWQN-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.95
Rot. Bonds5

About 2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline

2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline (PubChem CID 141434831) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline.

Molecular Properties

Compound Name2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline
PubChem CID141434831
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC Name2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline
SMILESCCNc1ccccc1C1C(c2ccccc2)=NNC1c1ccccc1
InChIInChI=1S/C23H23N3/c1-2-24-20-16-10-9-15-19(20)21-22(17-11-5-3-6-12-17)25-26-23(21)18-13-7-4-8-14-18/h3-16,21-22,24-25H,2H2,1H3
InChIKeyNPFWMYZZHJGWQN-UHFFFAOYSA-N
XLogP4.95
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline?
The IUPAC name of 2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline (CID 141434831) is 2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline.
What is the SMILES notation for 2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline?
The canonical SMILES for 2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline is CCNc1ccccc1C1C(c2ccccc2)=NNC1c1ccccc1.
What is the InChIKey of 2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline?
The InChIKey is NPFWMYZZHJGWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-2-24-20-16-10-9-15-19(20)21-22(17-11-5-3-6-12-17)25-26-23(21)18-13-7-4-8-14-18/h3-16,21-22,24-25H,2H2,1H3.
What are the key properties of 2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline?
2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline has a molecular weight of 341.46 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-ethylaniline is sourced from PubChem (CID 141434831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).