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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Related Compounds

CID 95937
CID 95937
CID 616747
CID 616747
CID 3292253
CID 3292253
CID 2729182
CID 2729182
CID 263125
CID 263125
CID 9636482
CID 9636482
CID 2729183
CID 2729183
CID 2729179
CID 2729179
CID 3284345
CID 3284345
CID 5379000
CID 5379000
CID 3069655
CID 3069655
CID 11658734
CID 11658734

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).