(5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone

C16H16N2O2 — CID 63327037

IUPAC(5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1ccc2oc(C(=O)c3c(C)nn(C)c3C)cc2c1
InChIInChI=1S/C16H16N2O2/c1-9-5-6-13-12(7-9)8-14(20-13)16(19)15-10(2)17-18(4)11(15)3/h5-8H,1-4H3
InChIKeySDMUXPVKKJBPOE-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.32
Rot. Bonds2

About (5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone

(5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 63327037) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID63327037
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1ccc2oc(C(=O)c3c(C)nn(C)c3C)cc2c1
InChIInChI=1S/C16H16N2O2/c1-9-5-6-13-12(7-9)8-14(20-13)16(19)15-10(2)17-18(4)11(15)3/h5-8H,1-4H3
InChIKeySDMUXPVKKJBPOE-UHFFFAOYSA-N
XLogP3.32
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 63639101
5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 61113384
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
1-(5-methyl-1-benzofuran-2-yl)prop-2-yn-1-one
CID 105108138
(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
(5-methyl-1-benzofuran-2-yl)-(3-propyltriazol-4-yl)methanone
CID 105129389
5-chloro-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 3841365
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993
(5-methyl-1-benzofuran-2-yl)-(1,3-thiazol-4-yl)methanone
CID 114725833
(1-ethylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 63327124
(3,5-dimethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105105126

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of (5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 63327037) is (5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for (5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1ccc2oc(C(=O)c3c(C)nn(C)c3C)cc2c1.
What is the InChIKey of (5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is SDMUXPVKKJBPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-9-5-6-13-12(7-9)8-14(20-13)16(19)15-10(2)17-18(4)11(15)3/h5-8H,1-4H3.
What are the key properties of (5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
(5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 268.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 63327037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).