5-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine

C11H9F2N3O — CID 117346020

IUPAC5-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2c(F)cc(F)c3c2OCC3)[nH]n1
InChIInChI=1S/C11H9F2N3O/c12-6-3-7(13)10(8-4-9(14)16-15-8)11-5(6)1-2-17-11/h3-4H,1-2H2,(H3,14,15,16)
InChIKeyFXCIOIZVHRYWPO-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.87
Rot. Bonds1

About 5-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine

5-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine (PubChem CID 117346020) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 5-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
PubChem CID117346020
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name5-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2c(F)cc(F)c3c2OCC3)[nH]n1
InChIInChI=1S/C11H9F2N3O/c12-6-3-7(13)10(8-4-9(14)16-15-8)11-5(6)1-2-17-11/h3-4H,1-2H2,(H3,14,15,16)
InChIKeyFXCIOIZVHRYWPO-UHFFFAOYSA-N
XLogP1.87
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine (CID 117346020) is 5-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine is Nc1cc(-c2c(F)cc(F)c3c2OCC3)[nH]n1.
What is the InChIKey of 5-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine?
The InChIKey is FXCIOIZVHRYWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c12-6-3-7(13)10(8-4-9(14)16-15-8)11-5(6)1-2-17-11/h3-4H,1-2H2,(H3,14,15,16).
What are the key properties of 5-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine?
5-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine has a molecular weight of 237.21 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117346020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).