2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine

C12H18N4 — CID 66404025

IUPAC2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCc1cc(Cn2cccc2CCN)n(C)n1
InChIInChI=1S/C12H18N4/c1-10-8-12(15(2)14-10)9-16-7-3-4-11(16)5-6-13/h3-4,7-8H,5-6,9,13H2,1-2H3
InChIKeyBESMZSUMZTXHTP-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.08
Rot. Bonds4

About 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine

2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 66404025) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine
PubChem CID66404025
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine
SMILESCc1cc(Cn2cccc2CCN)n(C)n1
InChIInChI=1S/C12H18N4/c1-10-8-12(15(2)14-10)9-16-7-3-4-11(16)5-6-13/h3-4,7-8H,5-6,9,13H2,1-2H3
InChIKeyBESMZSUMZTXHTP-UHFFFAOYSA-N
XLogP1.08
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine (CID 66404025) is 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine is Cc1cc(Cn2cccc2CCN)n(C)n1.
What is the InChIKey of 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is BESMZSUMZTXHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-10-8-12(15(2)14-10)9-16-7-3-4-11(16)5-6-13/h3-4,7-8H,5-6,9,13H2,1-2H3.
What are the key properties of 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine?
2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 218.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 66404025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).