3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide

C13H16N4O — CID 43664759

IUPAC3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide
SMILESCn1cc(CNCc2cccc(C(N)=O)c2)cn1
InChIInChI=1S/C13H16N4O/c1-17-9-11(8-16-17)7-15-6-10-3-2-4-12(5-10)13(14)18/h2-5,8-9,15H,6-7H2,1H3,(H2,14,18)
InChIKeyZNJNMCOZTSOTFE-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.81
Rot. Bonds5

About 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide

3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide (PubChem CID 43664759) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide
PubChem CID43664759
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide
SMILESCn1cc(CNCc2cccc(C(N)=O)c2)cn1
InChIInChI=1S/C13H16N4O/c1-17-9-11(8-16-17)7-15-6-10-3-2-4-12(5-10)13(14)18/h2-5,8-9,15H,6-7H2,1H3,(H2,14,18)
InChIKeyZNJNMCOZTSOTFE-UHFFFAOYSA-N
XLogP0.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(1-methylpyrazol-4-yl)methylamino]methyl]-N-propylbenzamide
CID 60614085
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126964493
3-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]benzamide
CID 97009863
3-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzamide
CID 55138482
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624593
4-chloro-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43679399
3-[(2-pyrazol-1-ylethylamino)methyl]benzamide
CID 61462987
3-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]benzamide
CID 63031426
3-[[(2-ethylphenyl)methylamino]methyl]benzamide
CID 62391737
3-[(1,3-thiazol-5-ylmethylamino)methyl]benzamide
CID 55109901
3-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 76928206

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide?
The IUPAC name of 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide (CID 43664759) is 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide?
The canonical SMILES for 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide is Cn1cc(CNCc2cccc(C(N)=O)c2)cn1.
What is the InChIKey of 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide?
The InChIKey is ZNJNMCOZTSOTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-9-11(8-16-17)7-15-6-10-3-2-4-12(5-10)13(14)18/h2-5,8-9,15H,6-7H2,1H3,(H2,14,18).
What are the key properties of 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide?
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide has a molecular weight of 244.30 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 43664759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).