1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine

C20H24N4O — CID 75389865

IUPAC1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1ccc(Oc2cc(CNCc3cnn(C)c3C)ccn2)cc1C
InChIInChI=1S/C20H24N4O/c1-14-5-6-19(9-15(14)2)25-20-10-17(7-8-22-20)11-21-12-18-13-23-24(4)16(18)3/h5-10,13,21H,11-12H2,1-4H3
InChIKeyRYNDTGMCPOFEQU-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.82
Rot. Bonds6

About 1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine

1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 75389865) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
PubChem CID75389865
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1ccc(Oc2cc(CNCc3cnn(C)c3C)ccn2)cc1C
InChIInChI=1S/C20H24N4O/c1-14-5-6-19(9-15(14)2)25-20-10-17(7-8-22-20)11-21-12-18-13-23-24(4)16(18)3/h5-10,13,21H,11-12H2,1-4H3
InChIKeyRYNDTGMCPOFEQU-UHFFFAOYSA-N
XLogP3.82
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine 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-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine (CID 75389865) is 1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine is Cc1ccc(Oc2cc(CNCc3cnn(C)c3C)ccn2)cc1C.
What is the InChIKey of 1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is RYNDTGMCPOFEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-5-6-19(9-15(14)2)25-20-10-17(7-8-22-20)11-21-12-18-13-23-24(4)16(18)3/h5-10,13,21H,11-12H2,1-4H3.
What are the key properties of 1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 336.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenoxy)-4-pyridinyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 75389865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).