5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

C15H17N5 — CID 79498550

IUPAC5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H17N5/c1-2-8-19-14(10-17-15(19)16)12-9-18-20(11-12)13-6-4-3-5-7-13/h2-7,9,11,14H,1,8,10H2,(H2,16,17)
InChIKeyJLSSSQSYAOJGMS-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.73
Rot. Bonds4

About 5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (PubChem CID 79498550) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
PubChem CID79498550
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H17N5/c1-2-8-19-14(10-17-15(19)16)12-9-18-20(11-12)13-6-4-3-5-7-13/h2-7,9,11,14H,1,8,10H2,(H2,16,17)
InChIKeyJLSSSQSYAOJGMS-UHFFFAOYSA-N
XLogP1.73
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5-(1-phenylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 79510472
5-(1-methylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79497687
5-(2-cyclopropylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79982788
5-(2-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79496904
5-(1-benzothiophen-3-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79498213
5-(4-methoxy-3-methylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79497862
5-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79497684
trans-(1R,2S)-2-(1-phenylpyrazol-4-yl)cyclopropan-1-amine;dihydrochloride
CID 170910890
5-phenyl-1-prop-2-enyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 70512497
4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one
CID 114239573
4-[2-(bromomethyl)cyclopropyl]-1-phenylpyrazole
CID 81350650
5-(1-ethylpyrazol-4-yl)-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 103571072

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (CID 79498550) is 5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is C=CCN1C(N)=NCC1c1cnn(-c2ccccc2)c1.
What is the InChIKey of 5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The InChIKey is JLSSSQSYAOJGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-8-19-14(10-17-15(19)16)12-9-18-20(11-12)13-6-4-3-5-7-13/h2-7,9,11,14H,1,8,10H2,(H2,16,17).
What are the key properties of 5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine has a molecular weight of 267.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpyrazol-4-yl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79498550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).