N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine

C12H16N4 — CID 62491394

IUPACN-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(-n2ccc(C)n2)c1
InChIInChI=1S/C12H16N4/c1-3-13-9-11-4-6-14-12(8-11)16-7-5-10(2)15-16/h4-8,13H,3,9H2,1-2H3
InChIKeyODBNUKNEWDBDJF-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.69
Rot. Bonds4

About N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine

N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine (PubChem CID 62491394) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
PubChem CID62491394
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(-n2ccc(C)n2)c1
InChIInChI=1S/C12H16N4/c1-3-13-9-11-4-6-14-12(8-11)16-7-5-10(2)15-16/h4-8,13H,3,9H2,1-2H3
InChIKeyODBNUKNEWDBDJF-UHFFFAOYSA-N
XLogP1.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine (CID 62491394) is N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(-n2ccc(C)n2)c1.
What is the InChIKey of N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine?
The InChIKey is ODBNUKNEWDBDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-13-9-11-4-6-14-12(8-11)16-7-5-10(2)15-16/h4-8,13H,3,9H2,1-2H3.
What are the key properties of N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine?
N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62491394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).