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

C11H15N5 — CID 79584687

IUPAC5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1cnc(-c2cnn(C)c2C)c1N
InChIInChI=1S/C11H15N5/c1-4-5-16-7-13-10(11(16)12)9-6-14-15(3)8(9)2/h4,6-7H,1,5,12H2,2-3H3
InChIKeyPWYLIQLXSOVDFR-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.36
Rot. Bonds3

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

5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine (PubChem CID 79584687) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine
PubChem CID79584687
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1cnc(-c2cnn(C)c2C)c1N
InChIInChI=1S/C11H15N5/c1-4-5-16-7-13-10(11(16)12)9-6-14-15(3)8(9)2/h4,6-7H,1,5,12H2,2-3H3
InChIKeyPWYLIQLXSOVDFR-UHFFFAOYSA-N
XLogP1.36
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.36
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

4-(4-Methylpiperazin-1-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 25131560
2,7-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine
CID 21345689
1-[1-(4-Fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole
CID 46980420
N-[(1-benzylimidazol-2-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53623178
5-(Imidazol-1-ylmethyl)-1-methyl-3-phenylpyrazole
CID 137658690
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 16188766
1-(1-ethyl-1H-imidazol-2-yl)-N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methylmethanamine
CID 16192101
3-(1-Methylpyrazol-4-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine
CID 117769452
N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2-pyrimidinamine
CID 45229730
N-[2-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-N-methylcyclopentanamine
CID 46980225
1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine
CID 46980228
1-Phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole
CID 46980267

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine (CID 79584687) is 5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine is C=CCn1cnc(-c2cnn(C)c2C)c1N.
What is the InChIKey of 5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is PWYLIQLXSOVDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-4-5-16-7-13-10(11(16)12)9-6-14-15(3)8(9)2/h4,6-7H,1,5,12H2,2-3H3.
What are the key properties of 5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine?
5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine has a molecular weight of 217.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 79584687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).