1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde

C15H19N3O — CID 61411890

IUPAC1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde
SMILESCc1ccccc1CN(C)c1c(C=O)c(C)nn1C
InChIInChI=1S/C15H19N3O/c1-11-7-5-6-8-13(11)9-17(3)15-14(10-19)12(2)16-18(15)4/h5-8,10H,9H2,1-4H3
InChIKeyIISUXRVHUPAGHC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.49
Rot. Bonds4

About 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde

1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde (PubChem CID 61411890) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde
PubChem CID61411890
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde
SMILESCc1ccccc1CN(C)c1c(C=O)c(C)nn1C
InChIInChI=1S/C15H19N3O/c1-11-7-5-6-8-13(11)9-17(3)15-14(10-19)12(2)16-18(15)4/h5-8,10H,9H2,1-4H3
InChIKeyIISUXRVHUPAGHC-UHFFFAOYSA-N
XLogP2.49
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde?
The IUPAC name of 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde (CID 61411890) is 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde is Cc1ccccc1CN(C)c1c(C=O)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde?
The InChIKey is IISUXRVHUPAGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-7-5-6-8-13(11)9-17(3)15-14(10-19)12(2)16-18(15)4/h5-8,10H,9H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde?
1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde has a molecular weight of 257.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde is sourced from PubChem (CID 61411890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).