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

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62502031
4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-pyrazol-3-amine
CID 62824445
4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione
CID 139775443
5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 66199605
4-amino-2-(2,3-dihydro-1-benzofuran-5-yl)pyrimidine-5-carbonitrile
CID 116865157
5-(1,3-dihydro-2-benzofuran-5-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80519875
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine
CID 104544998
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
[3-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methanamine
CID 54910506
4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-1H-imidazole
CID 139775453
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683
5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine
CID 116827285

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).