3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline

C14H20N4 — CID 82866522

IUPAC3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline
SMILESCCN(Cc1cccc(N)c1)Cc1ccn(C)n1
InChIInChI=1S/C14H20N4/c1-3-18(11-14-7-8-17(2)16-14)10-12-5-4-6-13(15)9-12/h4-9H,3,10-11,15H2,1-2H3
InChIKeyYAKXQHJSLQVSLW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.02
Rot. Bonds5

About 3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline

3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline (PubChem CID 82866522) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline
PubChem CID82866522
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline
SMILESCCN(Cc1cccc(N)c1)Cc1ccn(C)n1
InChIInChI=1S/C14H20N4/c1-3-18(11-14-7-8-17(2)16-14)10-12-5-4-6-13(15)9-12/h4-9H,3,10-11,15H2,1-2H3
InChIKeyYAKXQHJSLQVSLW-UHFFFAOYSA-N
XLogP2.02
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline 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-[[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline
CID 82865728
3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
CID 43459137
3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
CID 43459109
3-[[(2,6-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 115776980
3-[[ethyl(2-methylpropyl)amino]methyl]aniline
CID 43273295
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459084
N'-ethyl-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82865963
3-[[1,3-benzothiazol-2-ylmethyl(ethyl)amino]methyl]aniline
CID 104631257
2-chloro-N-ethyl-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82872228
3-[[(4-chloro-3-fluorophenyl)methyl-ethylamino]methyl]aniline
CID 107881986
3-[[(1-methylpyrazol-4-yl)methyl-propylamino]methyl]aniline
CID 55041381
3-[[(2,4-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 62196361

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline?
The IUPAC name of 3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline (CID 82866522) is 3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline.
What is the SMILES notation for 3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline?
The canonical SMILES for 3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline is CCN(Cc1cccc(N)c1)Cc1ccn(C)n1.
What is the InChIKey of 3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline?
The InChIKey is YAKXQHJSLQVSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-18(11-14-7-8-17(2)16-14)10-12-5-4-6-13(15)9-12/h4-9H,3,10-11,15H2,1-2H3.
What are the key properties of 3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline?
3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline is sourced from PubChem (CID 82866522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).