3-[(2-pyrazol-1-ylethylamino)methyl]benzamide

C13H16N4O — CID 61462987

IUPAC3-[(2-pyrazol-1-ylethylamino)methyl]benzamide
SMILESNC(=O)c1cccc(CNCCn2cccn2)c1
InChIInChI=1S/C13H16N4O/c14-13(18)12-4-1-3-11(9-12)10-15-6-8-17-7-2-5-16-17/h1-5,7,9,15H,6,8,10H2,(H2,14,18)
InChIKeyFJPQHIPOHGPAJS-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.77
Rot. Bonds6

About 3-[(2-pyrazol-1-ylethylamino)methyl]benzamide

3-[(2-pyrazol-1-ylethylamino)methyl]benzamide (PubChem CID 61462987) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-[(2-pyrazol-1-ylethylamino)methyl]benzamide.

Molecular Properties

Compound Name3-[(2-pyrazol-1-ylethylamino)methyl]benzamide
PubChem CID61462987
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-[(2-pyrazol-1-ylethylamino)methyl]benzamide
SMILESNC(=O)c1cccc(CNCCn2cccn2)c1
InChIInChI=1S/C13H16N4O/c14-13(18)12-4-1-3-11(9-12)10-15-6-8-17-7-2-5-16-17/h1-5,7,9,15H,6,8,10H2,(H2,14,18)
InChIKeyFJPQHIPOHGPAJS-UHFFFAOYSA-N
XLogP0.77
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]benzamide
CID 55136863
N-[(3-nitrophenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61069254
3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide
CID 63031426
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124
3-[(3-carbamoylphenyl)methylamino]propanoic acid
CID 43466251
3-[[2-(triazol-1-yl)ethylamino]methyl]benzoic acid
CID 103263491
3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]benzamide
CID 43566996
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide
CID 43664759
4-amino-3-(2-pyrazol-1-ylethylamino)benzamide
CID 63356229
3-[[2-[ethyl(methyl)amino]ethylamino]methyl]benzamide
CID 55139292
3-[[2-(tert-butylamino)ethylamino]methyl]benzamide
CID 107444865
2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine
CID 61070929

Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyrazol-1-ylethylamino)methyl]benzamide?
The IUPAC name of 3-[(2-pyrazol-1-ylethylamino)methyl]benzamide (CID 61462987) is 3-[(2-pyrazol-1-ylethylamino)methyl]benzamide.
What is the SMILES notation for 3-[(2-pyrazol-1-ylethylamino)methyl]benzamide?
The canonical SMILES for 3-[(2-pyrazol-1-ylethylamino)methyl]benzamide is NC(=O)c1cccc(CNCCn2cccn2)c1.
What is the InChIKey of 3-[(2-pyrazol-1-ylethylamino)methyl]benzamide?
The InChIKey is FJPQHIPOHGPAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-13(18)12-4-1-3-11(9-12)10-15-6-8-17-7-2-5-16-17/h1-5,7,9,15H,6,8,10H2,(H2,14,18).
What are the key properties of 3-[(2-pyrazol-1-ylethylamino)methyl]benzamide?
3-[(2-pyrazol-1-ylethylamino)methyl]benzamide has a molecular weight of 244.30 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyrazol-1-ylethylamino)methyl]benzamide is sourced from PubChem (CID 61462987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).