1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine

C16H23N3O2 — CID 61034443

IUPAC1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)c(OC)cc1-c1c(C)nn(C)c1C
InChIInChI=1S/C16H23N3O2/c1-10-16(11(2)19(4)18-10)13-8-15(21-6)14(20-5)7-12(13)9-17-3/h7-8,17H,9H2,1-6H3
InChIKeyRGNZHRUUYNWSHL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.44
Rot. Bonds5

About 1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine

1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine (PubChem CID 61034443) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine
PubChem CID61034443
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)c(OC)cc1-c1c(C)nn(C)c1C
InChIInChI=1S/C16H23N3O2/c1-10-16(11(2)19(4)18-10)13-8-15(21-6)14(20-5)7-12(13)9-17-3/h7-8,17H,9H2,1-6H3
InChIKeyRGNZHRUUYNWSHL-UHFFFAOYSA-N
XLogP2.44
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine 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-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine (CID 61034443) is 1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine is CNCc1cc(OC)c(OC)cc1-c1c(C)nn(C)c1C.
What is the InChIKey of 1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine?
The InChIKey is RGNZHRUUYNWSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-16(11(2)19(4)18-10)13-8-15(21-6)14(20-5)7-12(13)9-17-3/h7-8,17H,9H2,1-6H3.
What are the key properties of 1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine?
1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dimethoxy-2-(1,3,5-trimethylpyrazol-4-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 61034443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).