4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol

C14H17N3O — CID 750736

IUPAC4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol
SMILESCc1ccc(O)c(/C=N/c2c(C)nn(C)c2C)c1
InChIInChI=1S/C14H17N3O/c1-9-5-6-13(18)12(7-9)8-15-14-10(2)16-17(4)11(14)3/h5-8,18H,1-4H3/b15-8+
InChIKeyFOLPXVFYTKYITQ-OVCLIPMQSA-N
MW243.31 g/mol
LogP2.80
Rot. Bonds2

About 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol

4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol (PubChem CID 750736) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol
PubChem CID750736
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol
SMILESCc1ccc(O)c(/C=N/c2c(C)nn(C)c2C)c1
InChIInChI=1S/C14H17N3O/c1-9-5-6-13(18)12(7-9)8-15-14-10(2)16-17(4)11(14)3/h5-8,18H,1-4H3/b15-8+
InChIKeyFOLPXVFYTKYITQ-OVCLIPMQSA-N
XLogP2.80
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol 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 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol?
The IUPAC name of 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol (CID 750736) is 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol.
What is the SMILES notation for 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol?
The canonical SMILES for 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol is Cc1ccc(O)c(/C=N/c2c(C)nn(C)c2C)c1.
What is the InChIKey of 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol?
The InChIKey is FOLPXVFYTKYITQ-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-5-6-13(18)12(7-9)8-15-14-10(2)16-17(4)11(14)3/h5-8,18H,1-4H3/b15-8+.
What are the key properties of 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol?
4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol has a molecular weight of 243.31 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]phenol is sourced from PubChem (CID 750736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).