N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine

C13H18N4 — CID 63975523

IUPACN-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccccn1)c1ccnn1CC
InChIInChI=1S/C13H18N4/c1-3-14-13(11-7-5-6-9-15-11)12-8-10-16-17(12)4-2/h5-10,13-14H,3-4H2,1-2H3
InChIKeyMIZOQNFKQQAOOM-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.00
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine

N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine (PubChem CID 63975523) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
PubChem CID63975523
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccccn1)c1ccnn1CC
InChIInChI=1S/C13H18N4/c1-3-14-13(11-7-5-6-9-15-11)12-8-10-16-17(12)4-2/h5-10,13-14H,3-4H2,1-2H3
InChIKeyMIZOQNFKQQAOOM-UHFFFAOYSA-N
XLogP2.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-propan-2-ylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 114197624
N-[(2-ethylpyrazol-3-yl)-pyrazin-2-ylmethyl]ethanamine
CID 63974892
N-[(2-methylpyrazol-3-yl)-pyridin-2-ylmethyl]propan-1-amine
CID 63962466
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105148427
N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine
CID 63976584
N-[(4-ethylphenyl)-pyridin-2-ylmethyl]ethanamine
CID 55084696
N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 107984980
N-[(2,6-dimethyl-3-pyridinyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 105148360
N-[(3-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115858232
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,2-dimethylbutan-1-amine
CID 115858037
N-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115857967
N-ethyl-1-(2-ethylpyrazol-3-yl)-2,3-dimethylbutan-1-amine
CID 115858314

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine (CID 63975523) is N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine is CCNC(c1ccccn1)c1ccnn1CC.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine?
The InChIKey is MIZOQNFKQQAOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-14-13(11-7-5-6-9-15-11)12-8-10-16-17(12)4-2/h5-10,13-14H,3-4H2,1-2H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine?
N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine is sourced from PubChem (CID 63975523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).