N,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline

C34H30N4 — CID 3743564

IUPACN,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
SMILESCN(C)c1ccc(C2CC(c3cccc(/N=C/c4cccc5ccccc45)c3)=NN2c2ccccc2)cc1
InChIInChI=1S/C34H30N4/c1-37(2)30-20-18-26(19-21-30)34-23-33(36-38(34)31-15-4-3-5-16-31)27-12-9-14-29(22-27)35-24-28-13-8-11-25-10-6-7-17-32(25)28/h3-22,24,34H,23H2,1-2H3/b35-24+
InChIKeyRAZZLMNZNAUVRJ-JWHWKPFMSA-N
MW494.64 g/mol
LogP8.01
Rot. Bonds6

About N,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline

N,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline (PubChem CID 3743564) has the molecular formula C34H30N4 and a molecular weight of 494.64 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
PubChem CID3743564
Molecular FormulaC34H30N4
Molecular Weight494.64 g/mol
Exact Mass494.25
IUPAC NameN,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
SMILESCN(C)c1ccc(C2CC(c3cccc(/N=C/c4cccc5ccccc45)c3)=NN2c2ccccc2)cc1
InChIInChI=1S/C34H30N4/c1-37(2)30-20-18-26(19-21-30)34-23-33(36-38(34)31-15-4-3-5-16-31)27-12-9-14-29(22-27)35-24-28-13-8-11-25-10-6-7-17-32(25)28/h3-22,24,34H,23H2,1-2H3/b35-24+
InChIKeyRAZZLMNZNAUVRJ-JWHWKPFMSA-N
XLogP8.01
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline
CID 2729182
2,4-dichloro-6-[[3-[(3S)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl]iminomethyl]phenol
CID 135820671
N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline
CID 42645863
N,N-dimethyl-4-[5-(2-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 11405575
N,N-dimethyl-4-[(3R)-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 7194736
3-[[4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]phenol
CID 3756039
4-[2-(6-chloro-4-phenylquinazolin-2-yl)-5-(3-methylphenyl)-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline
CID 71906214
N,N-dimethyl-4-[2-(4-naphthalen-2-yl-5-phenyldiazenyl-1,3-thiazol-2-yl)-5-phenyl-3,4-dihydropyrazol-3-yl]aniline
CID 16736473
1-[4-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(3-nitrophenyl)methanimine
CID 40901413
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167
(3S)-3-[4-(dimethylamino)phenyl]-5-naphthalen-2-yl-3,4-dihydropyrazole-2-carbaldehyde
CID 765180

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline (CID 3743564) is N,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline is CN(C)c1ccc(C2CC(c3cccc(/N=C/c4cccc5ccccc45)c3)=NN2c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline?
The InChIKey is RAZZLMNZNAUVRJ-JWHWKPFMSA-N. The full InChI is InChI=1S/C34H30N4/c1-37(2)30-20-18-26(19-21-30)34-23-33(36-38(34)31-15-4-3-5-16-31)27-12-9-14-29(22-27)35-24-28-13-8-11-25-10-6-7-17-32(25)28/h3-22,24,34H,23H2,1-2H3/b35-24+.
What are the key properties of N,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline?
N,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline has a molecular weight of 494.64 g/mol, XLogP of 8.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-[3-(naphthalen-1-ylmethylideneamino)phenyl]-2-phenyl-3,4-dihydropyrazol-3-yl]aniline is sourced from PubChem (CID 3743564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).