(3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C20H19N3O2 — CID 97213413

IUPAC(3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(NCCc1ccn(-c2ccccc2)n1)[C@@H]1COc2ccccc21
InChIInChI=1S/C20H19N3O2/c24-20(18-14-25-19-9-5-4-8-17(18)19)21-12-10-15-11-13-23(22-15)16-6-2-1-3-7-16/h1-9,11,13,18H,10,12,14H2,(H,21,24)/t18-/m1/s1
InChIKeyIYPPYIWSCYOKNH-GOSISDBHSA-N
MW333.39 g/mol
LogP2.71
Rot. Bonds5

About (3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide

(3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 97213413) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID97213413
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(NCCc1ccn(-c2ccccc2)n1)[C@@H]1COc2ccccc21
InChIInChI=1S/C20H19N3O2/c24-20(18-14-25-19-9-5-4-8-17(18)19)21-12-10-15-11-13-23(22-15)16-6-2-1-3-7-16/h1-9,11,13,18H,10,12,14H2,(H,21,24)/t18-/m1/s1
InChIKeyIYPPYIWSCYOKNH-GOSISDBHSA-N
XLogP2.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51105926
(3R)-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96539026
N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648358
(3S)-1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 52508319
1-(furan-2-ylmethyl)-5-oxo-N-[2-(1-phenylpyrazol-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 47092744
4-oxo-4-phenyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
CID 51105933
2-bromo-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51132204
(3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96568187
3-methyl-5-(methylamino)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-1,2-thiazole-4-carboxamide
CID 51106857
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80710510
3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
(3R)-N-[2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124777492

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 97213413) is (3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is O=C(NCCc1ccn(-c2ccccc2)n1)[C@@H]1COc2ccccc21.
What is the InChIKey of (3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is IYPPYIWSCYOKNH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(18-14-25-19-9-5-4-8-17(18)19)21-12-10-15-11-13-23(22-15)16-6-2-1-3-7-16/h1-9,11,13,18H,10,12,14H2,(H,21,24)/t18-/m1/s1.
What are the key properties of (3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
(3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(1-phenylpyrazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 97213413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).