N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide

C18H19N3O4 — CID 71933976

IUPACN-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(-c2ccoc2C)nn1CCO
InChIInChI=1S/C18H19N3O4/c1-12-13(7-10-25-12)15-11-17(21(20-15)8-9-22)19-18(23)14-5-3-4-6-16(14)24-2/h3-7,10-11,22H,8-9H2,1-2H3,(H,19,23)
InChIKeyNMSOHGJZQRNTHY-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.70
Rot. Bonds6

About N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide

N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide (PubChem CID 71933976) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide
PubChem CID71933976
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(-c2ccoc2C)nn1CCO
InChIInChI=1S/C18H19N3O4/c1-12-13(7-10-25-12)15-11-17(21(20-15)8-9-22)19-18(23)14-5-3-4-6-16(14)24-2/h3-7,10-11,22H,8-9H2,1-2H3,(H,19,23)
InChIKeyNMSOHGJZQRNTHY-UHFFFAOYSA-N
XLogP2.70
TPSA89.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-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-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide (CID 71933976) is N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(-c2ccoc2C)nn1CCO.
What is the InChIKey of N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide?
The InChIKey is NMSOHGJZQRNTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12-13(7-10-25-12)15-11-17(21(20-15)8-9-22)19-18(23)14-5-3-4-6-16(14)24-2/h3-7,10-11,22H,8-9H2,1-2H3,(H,19,23).
What are the key properties of N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide?
N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide has a molecular weight of 341.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 71933976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).