N-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine

C14H19N3 — CID 63962450

IUPACN-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine
SMILESCCNC(C)c1cccc(-c2ccnn2C)c1
InChIInChI=1S/C14H19N3/c1-4-15-11(2)12-6-5-7-13(10-12)14-8-9-16-17(14)3/h5-11,15H,4H2,1-3H3
InChIKeyKSQCGQQDCXVBCO-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.76
Rot. Bonds4

About N-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine

N-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine (PubChem CID 63962450) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine
PubChem CID63962450
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine
SMILESCCNC(C)c1cccc(-c2ccnn2C)c1
InChIInChI=1S/C14H19N3/c1-4-15-11(2)12-6-5-7-13(10-12)14-8-9-16-17(14)3/h5-11,15H,4H2,1-3H3
InChIKeyKSQCGQQDCXVBCO-UHFFFAOYSA-N
XLogP2.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine (CID 63962450) is N-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine is CCNC(C)c1cccc(-c2ccnn2C)c1.
What is the InChIKey of N-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine?
The InChIKey is KSQCGQQDCXVBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-15-11(2)12-6-5-7-13(10-12)14-8-9-16-17(14)3/h5-11,15H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine?
N-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(2-methylpyrazol-3-yl)phenyl]ethanamine is sourced from PubChem (CID 63962450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).