N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine

C12H19N5 — CID 115762274

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCCn1nccc1CNCCc1nccn1C
InChIInChI=1S/C12H19N5/c1-3-17-11(4-7-15-17)10-13-6-5-12-14-8-9-16(12)2/h4,7-9,13H,3,5-6,10H2,1-2H3
InChIKeyHQLCQWOJPHTYHI-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.97
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine

N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 115762274) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID115762274
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCCn1nccc1CNCCc1nccn1C
InChIInChI=1S/C12H19N5/c1-3-17-11(4-7-15-17)10-13-6-5-12-14-8-9-16(12)2/h4,7-9,13H,3,5-6,10H2,1-2H3
InChIKeyHQLCQWOJPHTYHI-UHFFFAOYSA-N
XLogP0.97
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626945
2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66411574
N-[(5-ethylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 62346002
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396816
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437741
N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,4S)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 154743465
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214870
N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214849
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxyethanamine;hydrochloride
CID 126964497
N,N-diethyl-4-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]aniline
CID 61214429

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine (CID 115762274) is N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine is CCn1nccc1CNCCc1nccn1C.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is HQLCQWOJPHTYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-3-17-11(4-7-15-17)10-13-6-5-12-14-8-9-16(12)2/h4,7-9,13H,3,5-6,10H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 233.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 115762274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).