2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde

C13H15N3O — CID 61442479

IUPAC2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde
SMILESCN(Cc1cnn(C)c1)c1ccccc1C=O
InChIInChI=1S/C13H15N3O/c1-15(8-11-7-14-16(2)9-11)13-6-4-3-5-12(13)10-17/h3-7,9-10H,8H2,1-2H3
InChIKeyIEYLOIBDPUHRDD-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.87
Rot. Bonds4

About 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde (PubChem CID 61442479) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde
PubChem CID61442479
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde
SMILESCN(Cc1cnn(C)c1)c1ccccc1C=O
InChIInChI=1S/C13H15N3O/c1-15(8-11-7-14-16(2)9-11)13-6-4-3-5-12(13)10-17/h3-7,9-10H,8H2,1-2H3
InChIKeyIEYLOIBDPUHRDD-UHFFFAOYSA-N
XLogP1.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinoline-3-carbaldehyde
CID 61442526
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-nitroaniline
CID 31921150
2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 78934710
3-chloro-1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,2-diamine
CID 104834246
1-[2-fluoro-6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]phenyl]ethanone
CID 60678097
2-[(4-chlorophenyl)methyl-methylamino]benzaldehyde
CID 61415174
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61438479
1-[2-(1-methylpyrazol-4-yl)ethyl]indole-7-carbaldehyde
CID 103005409
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
8-N-methyl-8-N-[(1-methylpyrazol-4-yl)methyl]isoquinoline-5,8-diamine
CID 103137557
3-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-4-amine
CID 81246090
4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4,8-diamine
CID 83060444

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde?
The IUPAC name of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde (CID 61442479) is 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde.
What is the SMILES notation for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde?
The canonical SMILES for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde is CN(Cc1cnn(C)c1)c1ccccc1C=O.
What is the InChIKey of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde?
The InChIKey is IEYLOIBDPUHRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-15(8-11-7-14-16(2)9-11)13-6-4-3-5-12(13)10-17/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde?
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde has a molecular weight of 229.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]benzaldehyde is sourced from PubChem (CID 61442479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).