1-benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone

C17H17ClN4O2 — CID 51094774

IUPAC1-benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(Cn2cc(Cl)cn2)CC1
InChIInChI=1S/C17H17ClN4O2/c18-14-10-19-22(11-14)12-20-5-7-21(8-6-20)17(23)16-9-13-3-1-2-4-15(13)24-16/h1-4,9-11H,5-8,12H2
InChIKeyOHOIAQYDDHWNLA-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.70
Rot. Bonds3

About 1-benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone

1-benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone (PubChem CID 51094774) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone
PubChem CID51094774
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name1-benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1CCN(Cn2cc(Cl)cn2)CC1
InChIInChI=1S/C17H17ClN4O2/c18-14-10-19-22(11-14)12-20-5-7-21(8-6-20)17(23)16-9-13-3-1-2-4-15(13)24-16/h1-4,9-11H,5-8,12H2
InChIKeyOHOIAQYDDHWNLA-UHFFFAOYSA-N
XLogP2.70
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone (CID 51094774) is 1-benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone is O=C(c1cc2ccccc2o1)N1CCN(Cn2cc(Cl)cn2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is OHOIAQYDDHWNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-14-10-19-22(11-14)12-20-5-7-21(8-6-20)17(23)16-9-13-3-1-2-4-15(13)24-16/h1-4,9-11H,5-8,12H2.
What are the key properties of 1-benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone?
1-benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 344.80 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 51094774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).