N,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline

C25H31N3O — CID 70424229

IUPACN,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline
SMILESCCN(CC)c1ccc(C=CC2=CC(C=Cc3ccc(OC)cc3)N(C)N2)cc1
InChIInChI=1S/C25H31N3O/c1-5-28(6-2)23-14-8-20(9-15-23)7-13-22-19-24(27(3)26-22)16-10-21-11-17-25(29-4)18-12-21/h7-19,24,26H,5-6H2,1-4H3
InChIKeyCIPQAGPTCOUVRH-UHFFFAOYSA-N
MW389.54 g/mol
LogP4.97
Rot. Bonds8

About N,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline

N,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline (PubChem CID 70424229) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline
PubChem CID70424229
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC NameN,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline
SMILESCCN(CC)c1ccc(C=CC2=CC(C=Cc3ccc(OC)cc3)N(C)N2)cc1
InChIInChI=1S/C25H31N3O/c1-5-28(6-2)23-14-8-20(9-15-23)7-13-22-19-24(27(3)26-22)16-10-21-11-17-25(29-4)18-12-21/h7-19,24,26H,5-6H2,1-4H3
InChIKeyCIPQAGPTCOUVRH-UHFFFAOYSA-N
XLogP4.97
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]aniline
CID 59296852
(E)-1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 21324463
4-[2-[3,5-bis[2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 57028933
N,N-diethyl-4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]aniline
CID 143246980
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline
CID 10589059
(E)-3-[4-(diethylamino)phenyl]-1-(2,4-dimethoxyphenyl)prop-2-en-1-one
CID 7594013
(E)-3-[4-(diethylamino)phenyl]-1-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 7947842
(E)-N-[[4-(diethylamino)phenyl]methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 100509478
(E)-N,N-diethyl-3-(4-methoxyphenyl)prop-2-en-1-amine
CID 122220925

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline?
The IUPAC name of N,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline (CID 70424229) is N,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline?
The canonical SMILES for N,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline is CCN(CC)c1ccc(C=CC2=CC(C=Cc3ccc(OC)cc3)N(C)N2)cc1.
What is the InChIKey of N,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline?
The InChIKey is CIPQAGPTCOUVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-5-28(6-2)23-14-8-20(9-15-23)7-13-22-19-24(27(3)26-22)16-10-21-11-17-25(29-4)18-12-21/h7-19,24,26H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline?
N,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline has a molecular weight of 389.54 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-[3-[2-(4-methoxyphenyl)ethenyl]-2-methyl-1,3-dihydropyrazol-5-yl]ethenyl]aniline is sourced from PubChem (CID 70424229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).