5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine

C11H8ClN3O — CID 115109572

IUPAC5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1cc2ccc(Cl)cc2o1
InChIInChI=1S/C11H8ClN3O/c12-7-2-1-6-3-10(16-9(6)4-7)11-8(13)5-14-15-11/h1-5H,13H2,(H,14,15)
InChIKeySNBYKKMQTWLAPP-UHFFFAOYSA-N
MW233.66 g/mol
LogP3.06
Rot. Bonds1

About 5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine

5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine (PubChem CID 115109572) has the molecular formula C11H8ClN3O and a molecular weight of 233.66 g/mol. Its IUPAC name is 5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine
PubChem CID115109572
Molecular FormulaC11H8ClN3O
Molecular Weight233.66 g/mol
Exact Mass233.04
IUPAC Name5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1-c1cc2ccc(Cl)cc2o1
InChIInChI=1S/C11H8ClN3O/c12-7-2-1-6-3-10(16-9(6)4-7)11-8(13)5-14-15-11/h1-5H,13H2,(H,14,15)
InChIKeySNBYKKMQTWLAPP-UHFFFAOYSA-N
XLogP3.06
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine
CID 135804671
5-(5-chloro-1-benzothiophen-2-yl)-1H-pyrazol-4-amine
CID 115109656
6-chloro-2-(3-chlorophenyl)-1-benzofuran
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6-(5-chloro-1-benzofuran-2-yl)pyrazin-2-amine
CID 114734745
4-(6-chloro-1-benzofuran-2-yl)-1-methylpyridin-1-ium iodide
CID 23312255
5-[4-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-4-amine
CID 141367860
4-(6-chloro-1-benzofuran-2-yl)-2-(1,3-thiazol-2-yl)-1,3-thiazole
CID 164723777
3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol
CID 154491984
3-(5-chloro-1H-pyrazol-4-yl)-7-hydrazinylchromen-2-one
CID 88787176
2-(5-chloro-1-benzofuran-2-yl)-4-methylaniline
CID 114731877
5-(1-methylindol-2-yl)-1H-pyrazol-4-amine
CID 115109269
5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one
CID 13167828

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine (CID 115109572) is 5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine is Nc1cn[nH]c1-c1cc2ccc(Cl)cc2o1.
What is the InChIKey of 5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine?
The InChIKey is SNBYKKMQTWLAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O/c12-7-2-1-6-3-10(16-9(6)4-7)11-8(13)5-14-15-11/h1-5H,13H2,(H,14,15).
What are the key properties of 5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine?
5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine has a molecular weight of 233.66 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-1-benzofuran-2-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 115109572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).