(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone

C15H13ClN2O2 — CID 105130288

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H13ClN2O2/c1-3-18-14(11(16)8-17-18)15(19)13-7-10-6-9(2)4-5-12(10)20-13/h4-8H,3H2,1-2H3
InChIKeyAHXRCPYHNGILEL-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.84
Rot. Bonds3

About (4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone

(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 105130288) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID105130288
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H13ClN2O2/c1-3-18-14(11(16)8-17-18)15(19)13-7-10-6-9(2)4-5-12(10)20-13/h4-8H,3H2,1-2H3
InChIKeyAHXRCPYHNGILEL-UHFFFAOYSA-N
XLogP3.84
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105130630
(7-bromo-1-benzofuran-2-yl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 105130349
(1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 63327124
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927
(4-aminophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114668108
(5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone
CID 105129389
(4-chloro-1-ethylpyrazol-5-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 105130270
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105111398
(2-chlorofuran-3-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 106691307
(2,3-dichlorophenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 115807979
(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114671121
(3-amino-5-bromophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114670517

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone (CID 105130288) is (4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone is CCn1ncc(Cl)c1C(=O)c1cc2cc(C)ccc2o1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is AHXRCPYHNGILEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-3-18-14(11(16)8-17-18)15(19)13-7-10-6-9(2)4-5-12(10)20-13/h4-8H,3H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 288.73 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 105130288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).