N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide

C20H22N4O3 — CID 46833678

IUPACN-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OCCN)c(-c3ccnn3C)c2)c1
InChIInChI=1S/C20H22N4O3/c1-24-18(8-10-22-24)17-13-15(6-7-19(17)27-11-9-21)23-20(25)14-4-3-5-16(12-14)26-2/h3-8,10,12-13H,9,11,21H2,1-2H3,(H,23,25)
InChIKeyIKKJKPILQDHCDI-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.69
Rot. Bonds7

About N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide

N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide (PubChem CID 46833678) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide
PubChem CID46833678
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(OCCN)c(-c3ccnn3C)c2)c1
InChIInChI=1S/C20H22N4O3/c1-24-18(8-10-22-24)17-13-15(6-7-19(17)27-11-9-21)23-20(25)14-4-3-5-16(12-14)26-2/h3-8,10,12-13H,9,11,21H2,1-2H3,(H,23,25)
InChIKeyIKKJKPILQDHCDI-UHFFFAOYSA-N
XLogP2.69
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide 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-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide (CID 46833678) is N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(OCCN)c(-c3ccnn3C)c2)c1.
What is the InChIKey of N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide?
The InChIKey is IKKJKPILQDHCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-24-18(8-10-22-24)17-13-15(6-7-19(17)27-11-9-21)23-20(25)14-4-3-5-16(12-14)26-2/h3-8,10,12-13H,9,11,21H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide?
N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide has a molecular weight of 366.42 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 46833678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).