N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C19H23N3O3 — CID 46962732

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCOc1ccc(OC)c(CN(Cc2cnn(C)c2)Cc2ccco2)c1
InChIInChI=1S/C19H23N3O3/c1-21-11-15(10-20-21)12-22(14-18-5-4-8-25-18)13-16-9-17(23-2)6-7-19(16)24-3/h4-11H,12-14H2,1-3H3
InChIKeyTYFZRRDPEPWOJZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.23
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine

N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 46962732) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID46962732
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCOc1ccc(OC)c(CN(Cc2cnn(C)c2)Cc2ccco2)c1
InChIInChI=1S/C19H23N3O3/c1-21-11-15(10-20-21)12-22(14-18-5-4-8-25-18)13-16-9-17(23-2)6-7-19(16)24-3/h4-11H,12-14H2,1-3H3
InChIKeyTYFZRRDPEPWOJZ-UHFFFAOYSA-N
XLogP3.23
TPSA52.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-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 N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 46962732) is N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine is COc1ccc(OC)c(CN(Cc2cnn(C)c2)Cc2ccco2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is TYFZRRDPEPWOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21-11-15(10-20-21)12-22(14-18-5-4-8-25-18)13-16-9-17(23-2)6-7-19(16)24-3/h4-11H,12-14H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 341.41 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 46962732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).