2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine

C15H23N5 — CID 83090080

IUPAC2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C(C)(C)C)nc(-c2cn(C)nc2C)c1N
InChIInChI=1S/C15H23N5/c1-7-8-20-13(16)12(17-14(20)15(3,4)5)11-9-19(6)18-10(11)2/h7,9H,1,8,16H2,2-6H3
InChIKeyGPRZVIFAQYEXAD-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.66
Rot. Bonds3

About 2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine

2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine (PubChem CID 83090080) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine
PubChem CID83090080
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C(C)(C)C)nc(-c2cn(C)nc2C)c1N
InChIInChI=1S/C15H23N5/c1-7-8-20-13(16)12(17-14(20)15(3,4)5)11-9-19(6)18-10(11)2/h7,9H,1,8,16H2,2-6H3
InChIKeyGPRZVIFAQYEXAD-UHFFFAOYSA-N
XLogP2.66
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.66
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

2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine
CID 62220431
2-tert-butyl-5-(3,4-dichlorophenyl)-3-prop-2-enylimidazol-4-amine
CID 63468748
2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine
CID 63645348
5-(1,3-dimethylpyrazol-4-yl)-2,3-dimethylimidazol-4-amine
CID 83092115
5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine
CID 81441356
2-cyclopentyl-5-(1,3-dimethylpyrazol-4-yl)-3-ethylimidazol-4-amine
CID 83090632
3-(1,3-dimethylpyrazol-4-yl)-1-ethylpyrazol-4-amine
CID 19621294
3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine
CID 112559104
5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 53275761
2-methyl-5-naphthalen-1-yl-3-prop-2-enylimidazol-4-amine
CID 62224177
3-ethyl-5-(3-ethyl-1-methylpyrazol-4-yl)-2-methylimidazol-4-amine
CID 112670865
3-(1,3-dimethylpyrazol-4-yl)-1-(3-methylbutyl)pyrazol-4-amine
CID 83222656

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine (CID 83090080) is 2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine is C=CCn1c(C(C)(C)C)nc(-c2cn(C)nc2C)c1N.
What is the InChIKey of 2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is GPRZVIFAQYEXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-7-8-20-13(16)12(17-14(20)15(3,4)5)11-9-19(6)18-10(11)2/h7,9H,1,8,16H2,2-6H3.
What are the key properties of 2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine?
2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 83090080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).