1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine

C21H26N4O2 — CID 119122611

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2cn(C)nc2C)cc1OCc1cccnc1
InChIInChI=1S/C21H26N4O2/c1-15(19-13-25(3)24-16(19)2)23-12-17-7-8-20(26-4)21(10-17)27-14-18-6-5-9-22-11-18/h5-11,13,15,23H,12,14H2,1-4H3
InChIKeyBNOGQGTXDCHHFV-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.56
Rot. Bonds8

About 1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 119122611) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID119122611
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2cn(C)nc2C)cc1OCc1cccnc1
InChIInChI=1S/C21H26N4O2/c1-15(19-13-25(3)24-16(19)2)23-12-17-7-8-20(26-4)21(10-17)27-14-18-6-5-9-22-11-18/h5-11,13,15,23H,12,14H2,1-4H3
InChIKeyBNOGQGTXDCHHFV-UHFFFAOYSA-N
XLogP3.56
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine 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-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine (CID 119122611) is 1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine is COc1ccc(CNC(C)c2cn(C)nc2C)cc1OCc1cccnc1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is BNOGQGTXDCHHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(19-13-25(3)24-16(19)2)23-12-17-7-8-20(26-4)21(10-17)27-14-18-6-5-9-22-11-18/h5-11,13,15,23H,12,14H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 366.47 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 119122611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).