(3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone

C17H18N2O2 — CID 63639101

IUPAC(3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1ccc2c(C)c(C(=O)c3c(C)nn(C)c3C)oc2c1
InChIInChI=1S/C17H18N2O2/c1-9-6-7-13-10(2)17(21-14(13)8-9)16(20)15-11(3)18-19(5)12(15)4/h6-8H,1-5H3
InChIKeyAEYIXRCTFYHPRM-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.63
Rot. Bonds2

About (3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone

(3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 63639101) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID63639101
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1ccc2c(C)c(C(=O)c3c(C)nn(C)c3C)oc2c1
InChIInChI=1S/C17H18N2O2/c1-9-6-7-13-10(2)17(21-14(13)8-9)16(20)15-11(3)18-19(5)12(15)4/h6-8H,1-5H3
InChIKeyAEYIXRCTFYHPRM-UHFFFAOYSA-N
XLogP3.63
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 63327037
4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747890
(3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone
CID 60706257
methyl 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 2144725
1-(3,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 63638930
(3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 63640455
N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide
CID 58917970
(3,4-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222403
3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2219584
3,6-dimethyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 97145494
(6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102949397
(3,6-dimethyl-1-benzofuran-2-yl)-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]methanone
CID 70737776

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of (3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 63639101) is (3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for (3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1ccc2c(C)c(C(=O)c3c(C)nn(C)c3C)oc2c1.
What is the InChIKey of (3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is AEYIXRCTFYHPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-9-6-7-13-10(2)17(21-14(13)8-9)16(20)15-11(3)18-19(5)12(15)4/h6-8H,1-5H3.
What are the key properties of (3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone?
(3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 282.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 63639101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).