(5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

C15H8ClN3O2 — CID 103125431

IUPAC(5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESO=C(c1cc2cc(Cl)ccc2o1)c1cnn2ccncc12
InChIInChI=1S/C15H8ClN3O2/c16-10-1-2-13-9(5-10)6-14(21-13)15(20)11-7-18-19-4-3-17-8-12(11)19/h1-8H
InChIKeyXEKXSWKVISYLOY-UHFFFAOYSA-N
MW297.70 g/mol
LogP3.36
Rot. Bonds2

About (5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

(5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone (PubChem CID 103125431) has the molecular formula C15H8ClN3O2 and a molecular weight of 297.70 g/mol. Its IUPAC name is (5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone.

Molecular Properties

Compound Name(5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
PubChem CID103125431
Molecular FormulaC15H8ClN3O2
Molecular Weight297.70 g/mol
Exact Mass297.03
IUPAC Name(5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESO=C(c1cc2cc(Cl)ccc2o1)c1cnn2ccncc12
InChIInChI=1S/C15H8ClN3O2/c16-10-1-2-13-9(5-10)6-14(21-13)15(20)11-7-18-19-4-3-17-8-12(11)19/h1-8H
InChIKeyXEKXSWKVISYLOY-UHFFFAOYSA-N
XLogP3.36
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 103125429
(5-chloro-1-benzofuran-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114885265
(5-chloro-1-benzofuran-2-yl)-(4-morpholin-4-yl-3-pyridinyl)methanone
CID 58707364
N-(2-amino-5-chlorophenyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103115950
(5-chloro-1-benzofuran-2-yl)-(2-methyl-4-pyridinyl)methanone
CID 106754789
(5-chloro-1-benzofuran-2-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 25481768
(5-chloro-1-benzofuran-2-yl)-(5-methylfuran-2-yl)methanone
CID 29076016
(5-chloro-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methanone
CID 114726089
(4-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103124905
(2,6-dimethoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103125523
(2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114736998
(5-chloro-1-benzofuran-2-yl)-(2H-triazol-4-yl)methanone
CID 114725842

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The IUPAC name of (5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone (CID 103125431) is (5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone.
What is the SMILES notation for (5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The canonical SMILES for (5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone is O=C(c1cc2cc(Cl)ccc2o1)c1cnn2ccncc12.
What is the InChIKey of (5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The InChIKey is XEKXSWKVISYLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3O2/c16-10-1-2-13-9(5-10)6-14(21-13)15(20)11-7-18-19-4-3-17-8-12(11)19/h1-8H.
What are the key properties of (5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
(5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone has a molecular weight of 297.70 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-benzofuran-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone is sourced from PubChem (CID 103125431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).