2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol

C11H9N3O2 — CID 136986546

IUPAC2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol
SMILESNc1cc(-c2cc3c(O)cccc3o2)[nH]n1
InChIInChI=1S/C11H9N3O2/c12-11-5-7(13-14-11)10-4-6-8(15)2-1-3-9(6)16-10/h1-5,15H,(H3,12,13,14)
InChIKeyIONXZXYYUFTJBU-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.11
Rot. Bonds1

About 2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol

2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol (PubChem CID 136986546) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol.

Molecular Properties

Compound Name2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol
PubChem CID136986546
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol
SMILESNc1cc(-c2cc3c(O)cccc3o2)[nH]n1
InChIInChI=1S/C11H9N3O2/c12-11-5-7(13-14-11)10-4-6-8(15)2-1-3-9(6)16-10/h1-5,15H,(H3,12,13,14)
InChIKeyIONXZXYYUFTJBU-UHFFFAOYSA-N
XLogP2.11
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromo-1-benzofuran-2-yl)-1H-pyrazol-3-amine
CID 115110035
5-[4-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazol-3-amine
CID 115110001
2-(4-amino-1,2-oxazol-5-yl)-1-benzofuran-4-ol
CID 136986518
2-(4-chlorophenyl)-1-benzofuran-4-ol
CID 71743775
3-(3-amino-1H-pyrazol-5-yl)-1H-indol-7-ol
CID 136985847
5-(5-bromofuran-2-yl)-1H-pyrazol-3-amine
CID 24702930
3-(3-amino-1H-pyrazol-5-yl)phenol
CID 55253217
6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993722
2-(3-hydroxy-5-methoxyphenyl)-1-benzofuran-4-ol
CID 641364
4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol
CID 136998614
5-hydroxychromen-2-one
CID 5318179
1-benzofuran-4-amine;1-benzofuran-4-ol
CID 158607409

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol?
The IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol (CID 136986546) is 2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol.
What is the SMILES notation for 2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol?
The canonical SMILES for 2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol is Nc1cc(-c2cc3c(O)cccc3o2)[nH]n1.
What is the InChIKey of 2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol?
The InChIKey is IONXZXYYUFTJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c12-11-5-7(13-14-11)10-4-6-8(15)2-1-3-9(6)16-10/h1-5,15H,(H3,12,13,14).
What are the key properties of 2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol?
2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol has a molecular weight of 215.21 g/mol, XLogP of 2.11, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-pyrazol-5-yl)-1-benzofuran-4-ol is sourced from PubChem (CID 136986546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).