2-(1-benzylpyrazol-4-yl)-N-methylethanamine

C13H17N3 — CID 83886802

IUPAC2-(1-benzylpyrazol-4-yl)-N-methylethanamine
SMILESCNCCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C13H17N3/c1-14-8-7-13-9-15-16(11-13)10-12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3
InChIKeyFVLAAMVKPBSZQH-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.69
Rot. Bonds5

About 2-(1-benzylpyrazol-4-yl)-N-methylethanamine

2-(1-benzylpyrazol-4-yl)-N-methylethanamine (PubChem CID 83886802) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(1-benzylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-benzylpyrazol-4-yl)-N-methylethanamine
PubChem CID83886802
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(1-benzylpyrazol-4-yl)-N-methylethanamine
SMILESCNCCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C13H17N3/c1-14-8-7-13-9-15-16(11-13)10-12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3
InChIKeyFVLAAMVKPBSZQH-UHFFFAOYSA-N
XLogP1.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 62717964
3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine
CID 62717965
3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 63276635
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
2-[(1-benzylpyrazol-4-yl)methyl]-1,1-dimethylhydrazine
CID 83005209
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
N-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 126822704
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
2-[(1-benzylpyrazol-4-yl)methyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134174
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708
5-(1-benzylpyrazol-4-yl)-3-oxopentanamide
CID 166794222

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(1-benzylpyrazol-4-yl)-N-methylethanamine (CID 83886802) is 2-(1-benzylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1-benzylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(1-benzylpyrazol-4-yl)-N-methylethanamine is CNCCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 2-(1-benzylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is FVLAAMVKPBSZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-14-8-7-13-9-15-16(11-13)10-12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3.
What are the key properties of 2-(1-benzylpyrazol-4-yl)-N-methylethanamine?
2-(1-benzylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 215.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 83886802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).