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

C15H14N2O2 — CID 63327124

IUPAC(1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCCn1cc(C(=O)c2cc3cc(C)ccc3o2)cn1
InChIInChI=1S/C15H14N2O2/c1-3-17-9-12(8-16-17)15(18)14-7-11-6-10(2)4-5-13(11)19-14/h4-9H,3H2,1-2H3
InChIKeyGKCTUYBWRYAJHB-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.19
Rot. Bonds3

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

(1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone (PubChem CID 63327124) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone
PubChem CID63327124
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone
SMILESCCn1cc(C(=O)c2cc3cc(C)ccc3o2)cn1
InChIInChI=1S/C15H14N2O2/c1-3-17-9-12(8-16-17)15(18)14-7-11-6-10(2)4-5-13(11)19-14/h4-9H,3H2,1-2H3
InChIKeyGKCTUYBWRYAJHB-UHFFFAOYSA-N
XLogP3.19
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105130288
(2-chloro-4-methylphenyl)-(1-ethylpyrazol-4-yl)methanone
CID 106864825
(5-fluoro-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105081841
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115319732
(5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone
CID 105129389
[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone
CID 116548142
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(5-methyl-1-benzofuran-2-yl)hexan-1-one
CID 115808102
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 105111398
1-benzofuran-2-yl-(9-ethyl-6-methylcarbazol-3-yl)methanone
CID 146311469
(5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 63327037

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone (CID 63327124) is (1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone is CCn1cc(C(=O)c2cc3cc(C)ccc3o2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is GKCTUYBWRYAJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-3-17-9-12(8-16-17)15(18)14-7-11-6-10(2)4-5-13(11)19-14/h4-9H,3H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone?
(1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 254.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 63327124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).