N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine

C13H18N4 — CID 61271924

IUPACN-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
SMILESCCNC(C)c1cnn(-c2ccccn2)c1C
InChIInChI=1S/C13H18N4/c1-4-14-10(2)12-9-16-17(11(12)3)13-7-5-6-8-15-13/h5-10,14H,4H2,1-3H3
InChIKeyZFEACAKNIYGUNP-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.25
Rot. Bonds4

About N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine

N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine (PubChem CID 61271924) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
PubChem CID61271924
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine
SMILESCCNC(C)c1cnn(-c2ccccn2)c1C
InChIInChI=1S/C13H18N4/c1-4-14-10(2)12-9-16-17(11(12)3)13-7-5-6-8-15-13/h5-10,14H,4H2,1-3H3
InChIKeyZFEACAKNIYGUNP-UHFFFAOYSA-N
XLogP2.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine?
The IUPAC name of N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine (CID 61271924) is N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine is CCNC(C)c1cnn(-c2ccccn2)c1C.
What is the InChIKey of N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine?
The InChIKey is ZFEACAKNIYGUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-4-14-10(2)12-9-16-17(11(12)3)13-7-5-6-8-15-13/h5-10,14H,4H2,1-3H3.
What are the key properties of N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine?
N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 61271924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).