2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine

C11H17N5 — CID 114721839

IUPAC2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine
SMILESCc1nn(C)cc1Cn1cncc1CCN
InChIInChI=1S/C11H17N5/c1-9-10(6-15(2)14-9)7-16-8-13-5-11(16)3-4-12/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyRPGBYXVBLXVVCN-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.47
Rot. Bonds4

About 2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine

2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine (PubChem CID 114721839) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine
PubChem CID114721839
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine
SMILESCc1nn(C)cc1Cn1cncc1CCN
InChIInChI=1S/C11H17N5/c1-9-10(6-15(2)14-9)7-16-8-13-5-11(16)3-4-12/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyRPGBYXVBLXVVCN-UHFFFAOYSA-N
XLogP0.47
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377565
2-(3-benzylimidazol-4-yl)ethanamine
CID 19417806
2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
CID 114717344
(1,3-dimethylpyrazol-4-yl)methanamine;hydrate;hydrochloride
CID 86812145
2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
CID 114722545
ethyl 3-[5-(2-aminoethyl)imidazol-1-yl]propanoate
CID 114719017
2-[3-(1H-pyrazol-4-ylmethyl)imidazol-4-yl]ethanamine
CID 114719551
1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole
CID 114721843
1-[(1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-5-amine
CID 112671985
2-[3-[(5-ethyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 106377472
2-(3-prop-2-enylimidazol-4-yl)ethanamine
CID 114717587
2-[3-(3-methylsulfonylpropyl)imidazol-4-yl]ethanamine
CID 114718577

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine (CID 114721839) is 2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine is Cc1nn(C)cc1Cn1cncc1CCN.
What is the InChIKey of 2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is RPGBYXVBLXVVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-9-10(6-15(2)14-9)7-16-8-13-5-11(16)3-4-12/h5-6,8H,3-4,7,12H2,1-2H3.
What are the key properties of 2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine?
2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 219.29 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1,3-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 114721839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).