N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine

C13H17N3 — CID 106756794

IUPACN-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCC(NCc1ccccc1)c1ccnn1C
InChIInChI=1S/C13H17N3/c1-11(13-8-9-15-16(13)2)14-10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3
InChIKeyJGAYGFCPWNJWAY-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.27
Rot. Bonds4

About N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine

N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 106756794) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID106756794
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCC(NCc1ccccc1)c1ccnn1C
InChIInChI=1S/C13H17N3/c1-11(13-8-9-15-16(13)2)14-10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3
InChIKeyJGAYGFCPWNJWAY-UHFFFAOYSA-N
XLogP2.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757542
1-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 106757796
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
CID 106757786
2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]prop-2-en-1-amine
CID 106758152
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
2-[1-(2-methylpyrazol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 106757076
1-(2-methylpyrazol-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 106757633
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 106757757
2-ethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758131
(1S)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 124624668
1-(2-phenylpyrazol-3-yl)-N-[(4-pyridin-4-ylphenyl)methyl]ethanamine
CID 167836777

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine (CID 106756794) is N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine is CC(NCc1ccccc1)c1ccnn1C.
What is the InChIKey of N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is JGAYGFCPWNJWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11(13-8-9-15-16(13)2)14-10-12-6-4-3-5-7-12/h3-9,11,14H,10H2,1-2H3.
What are the key properties of N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine?
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 106756794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).