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

C13H17N3 — CID 63961389

IUPACN-methyl-1-[2-(2-methylpyrazol-3-yl)phenyl]ethanamine
SMILESCNC(C)c1ccccc1-c1ccnn1C
InChIInChI=1S/C13H17N3/c1-10(14-2)11-6-4-5-7-12(11)13-8-9-15-16(13)3/h4-10,14H,1-3H3
InChIKeyLISWRKZWEBXOJC-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.37
Rot. Bonds3

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

N-methyl-1-[2-(2-methylpyrazol-3-yl)phenyl]ethanamine (PubChem CID 63961389) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylpyrazol-3-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylpyrazol-3-yl)phenyl]ethanamine
PubChem CID63961389
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-1-[2-(2-methylpyrazol-3-yl)phenyl]ethanamine
SMILESCNC(C)c1ccccc1-c1ccnn1C
InChIInChI=1S/C13H17N3/c1-10(14-2)11-6-4-5-7-12(11)13-8-9-15-16(13)3/h4-10,14H,1-3H3
InChIKeyLISWRKZWEBXOJC-UHFFFAOYSA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylpyrazol-3-yl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-(2-methylpyrazol-3-yl)phenyl]ethanamine (CID 63961389) is N-methyl-1-[2-(2-methylpyrazol-3-yl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylpyrazol-3-yl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylpyrazol-3-yl)phenyl]ethanamine is CNC(C)c1ccccc1-c1ccnn1C.
What is the InChIKey of N-methyl-1-[2-(2-methylpyrazol-3-yl)phenyl]ethanamine?
The InChIKey is LISWRKZWEBXOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(14-2)11-6-4-5-7-12(11)13-8-9-15-16(13)3/h4-10,14H,1-3H3.
What are the key properties of N-methyl-1-[2-(2-methylpyrazol-3-yl)phenyl]ethanamine?
N-methyl-1-[2-(2-methylpyrazol-3-yl)phenyl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylpyrazol-3-yl)phenyl]ethanamine is sourced from PubChem (CID 63961389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).