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

C18H20N4 — CID 748141

IUPACN,N-dimethyl-4-[(2-phenyl-3,4-dihydropyrazol-5-yl)iminomethyl]aniline
SMILESCN(C)c1ccc(/C=N/C2=NN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N4/c1-21(2)16-10-8-15(9-11-16)14-19-18-12-13-22(20-18)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3/b19-14+
InChIKeySVYTZTMLLQJRNW-XMHGGMMESA-N
MW292.39 g/mol
LogP3.40
Rot. Bonds3

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

N,N-dimethyl-4-[(2-phenyl-3,4-dihydropyrazol-5-yl)iminomethyl]aniline (PubChem CID 748141) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2-phenyl-3,4-dihydropyrazol-5-yl)iminomethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2-phenyl-3,4-dihydropyrazol-5-yl)iminomethyl]aniline
PubChem CID748141
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN,N-dimethyl-4-[(2-phenyl-3,4-dihydropyrazol-5-yl)iminomethyl]aniline
SMILESCN(C)c1ccc(/C=N/C2=NN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H20N4/c1-21(2)16-10-8-15(9-11-16)14-19-18-12-13-22(20-18)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3/b19-14+
InChIKeySVYTZTMLLQJRNW-XMHGGMMESA-N
XLogP3.40
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2-phenyl-3,4-dihydropyrazol-5-yl)iminomethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(2-phenyl-3,4-dihydropyrazol-5-yl)iminomethyl]aniline (CID 748141) is N,N-dimethyl-4-[(2-phenyl-3,4-dihydropyrazol-5-yl)iminomethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(2-phenyl-3,4-dihydropyrazol-5-yl)iminomethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(2-phenyl-3,4-dihydropyrazol-5-yl)iminomethyl]aniline is CN(C)c1ccc(/C=N/C2=NN(c3ccccc3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(2-phenyl-3,4-dihydropyrazol-5-yl)iminomethyl]aniline?
The InChIKey is SVYTZTMLLQJRNW-XMHGGMMESA-N. The full InChI is InChI=1S/C18H20N4/c1-21(2)16-10-8-15(9-11-16)14-19-18-12-13-22(20-18)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3/b19-14+.
What are the key properties of N,N-dimethyl-4-[(2-phenyl-3,4-dihydropyrazol-5-yl)iminomethyl]aniline?
N,N-dimethyl-4-[(2-phenyl-3,4-dihydropyrazol-5-yl)iminomethyl]aniline has a molecular weight of 292.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2-phenyl-3,4-dihydropyrazol-5-yl)iminomethyl]aniline is sourced from PubChem (CID 748141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).