4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine

C16H19N5 — CID 106579674

IUPAC4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(NCCCn2cccn2)n1
InChIInChI=1S/C16H19N5/c1-14-13-21(15-7-3-2-4-8-15)16(19-14)17-9-5-11-20-12-6-10-18-20/h2-4,6-8,10,12-13H,5,9,11H2,1H3,(H,17,19)
InChIKeyWBVSEBJSTVZVHV-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.88
Rot. Bonds6

About 4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine

4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine (PubChem CID 106579674) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine
PubChem CID106579674
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(NCCCn2cccn2)n1
InChIInChI=1S/C16H19N5/c1-14-13-21(15-7-3-2-4-8-15)16(19-14)17-9-5-11-20-12-6-10-18-20/h2-4,6-8,10,12-13H,5,9,11H2,1H3,(H,17,19)
InChIKeyWBVSEBJSTVZVHV-UHFFFAOYSA-N
XLogP2.88
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine
CID 106580561
4-methyl-N-(2-methylsulfinylethyl)-1-phenylimidazol-2-amine
CID 106581417
4-methyl-N-(2-methylpropyl)-1-phenylimidazol-2-amine
CID 106554707
4-methyl-1-phenyl-N-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567558
N-(2-methoxy-2-methylpropyl)-4-methyl-1-phenylimidazol-2-amine
CID 106581312
N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine
CID 106569642
4-N-(3-pyrazol-1-ylpropyl)benzene-1,4-diamine
CID 23104821
1-(3-ethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559811
N-(3-pyrazol-1-ylpropyl)pyridin-4-amine
CID 115669379
5,6-diethyl-N-(3-pyrazol-1-ylpropyl)-1,2,4-triazin-3-amine
CID 105362808
1-(2-chlorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558751
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-phenylimidazol-2-amine
CID 106575438

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine (CID 106579674) is 4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine is Cc1cn(-c2ccccc2)c(NCCCn2cccn2)n1.
What is the InChIKey of 4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine?
The InChIKey is WBVSEBJSTVZVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-14-13-21(15-7-3-2-4-8-15)16(19-14)17-9-5-11-20-12-6-10-18-20/h2-4,6-8,10,12-13H,5,9,11H2,1H3,(H,17,19).
What are the key properties of 4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine?
4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine has a molecular weight of 281.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine is sourced from PubChem (CID 106579674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).