5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine

C17H15N3O — CID 62198669

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc3c(c2)CCO3)c1-c1ccccc1
InChIInChI=1S/C17H15N3O/c18-17-15(11-4-2-1-3-5-11)16(19-20-17)13-6-7-14-12(10-13)8-9-21-14/h1-7,10H,8-9H2,(H3,18,19,20)
InChIKeyCLLUGSIXCGHIGS-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.26
Rot. Bonds2

About 5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine

5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine (PubChem CID 62198669) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine
PubChem CID62198669
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc3c(c2)CCO3)c1-c1ccccc1
InChIInChI=1S/C17H15N3O/c18-17-15(11-4-2-1-3-5-11)16(19-20-17)13-6-7-14-12(10-13)8-9-21-14/h1-7,10H,8-9H2,(H3,18,19,20)
InChIKeyCLLUGSIXCGHIGS-UHFFFAOYSA-N
XLogP3.26
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine 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 5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine (CID 62198669) is 5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccc3c(c2)CCO3)c1-c1ccccc1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine?
The InChIKey is CLLUGSIXCGHIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-17-15(11-4-2-1-3-5-11)16(19-20-17)13-6-7-14-12(10-13)8-9-21-14/h1-7,10H,8-9H2,(H3,18,19,20).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine?
5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine has a molecular weight of 277.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1H-pyrazol-3-amine is sourced from PubChem (CID 62198669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).