4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine

C11H9N3O — CID 117288402

IUPAC4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc2occc2c1
InChIInChI=1S/C11H9N3O/c12-11-9(6-13-14-11)7-1-2-10-8(5-7)3-4-15-10/h1-6H,(H3,12,13,14)
InChIKeyXMYPYDMBCLOJQF-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.41
Rot. Bonds1

About 4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine

4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine (PubChem CID 117288402) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine
PubChem CID117288402
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1ccc2occc2c1
InChIInChI=1S/C11H9N3O/c12-11-9(6-13-14-11)7-1-2-10-8(5-7)3-4-15-10/h1-6H,(H3,12,13,14)
InChIKeyXMYPYDMBCLOJQF-UHFFFAOYSA-N
XLogP2.41
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,2-benzoxazol-5-yl)-1H-pyrazol-5-amine
CID 117289185
4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine
CID 117304034
4-furo[2,3-f][1]benzofuran-4-yl-1H-pyrazol-5-amine
CID 117350269
4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine
CID 117353133
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094
4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine
CID 117332699
4-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117444749
4-[4-(triazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117325187
4-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1H-pyrazol-5-amine
CID 117328775
4-[3-(1-fluoroethyl)phenyl]-1H-pyrazol-5-amine
CID 117293410
4-(5-amino-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenol
CID 117359093

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine (CID 117288402) is 4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1ccc2occc2c1.
What is the InChIKey of 4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine?
The InChIKey is XMYPYDMBCLOJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-11-9(6-13-14-11)7-1-2-10-8(5-7)3-4-15-10/h1-6H,(H3,12,13,14).
What are the key properties of 4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine?
4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine has a molecular weight of 199.21 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117288402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).