5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde

C15H19N3O2 — CID 61417546

IUPAC5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCOc1ccccc1CN(C)c1c(C=O)c(C)nn1C
InChIInChI=1S/C15H19N3O2/c1-11-13(10-19)15(18(3)16-11)17(2)9-12-7-5-6-8-14(12)20-4/h5-8,10H,9H2,1-4H3
InChIKeyPSCXPEVJQKBPDE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.19
Rot. Bonds5

About 5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde

5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 61417546) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID61417546
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCOc1ccccc1CN(C)c1c(C=O)c(C)nn1C
InChIInChI=1S/C15H19N3O2/c1-11-13(10-19)15(18(3)16-11)17(2)9-12-7-5-6-8-14(12)20-4/h5-8,10H,9H2,1-4H3
InChIKeyPSCXPEVJQKBPDE-UHFFFAOYSA-N
XLogP2.19
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde
CID 61411890
N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine
CID 61418169
2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 61418205
5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 65485261
5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 62115998
(E)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 9168429
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 171130164
3-amino-N-[(2-methoxyphenyl)methyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 61110803
N-[(2-methoxyphenyl)methyl]-N,2-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-amine
CID 138998589
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 171324166
1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile
CID 63753001

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde (CID 61417546) is 5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde is COc1ccccc1CN(C)c1c(C=O)c(C)nn1C.
What is the InChIKey of 5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is PSCXPEVJQKBPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-13(10-19)15(18(3)16-11)17(2)9-12-7-5-6-8-14(12)20-4/h5-8,10H,9H2,1-4H3.
What are the key properties of 5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde?
5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 273.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 61417546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).