(1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone

C15H18N2O2 — CID 106681934

IUPAC(1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)c1cnn(C)c1C
InChIInChI=1S/C15H18N2O2/c1-9-6-10(2)14(13(7-9)19-5)15(18)12-8-16-17(4)11(12)3/h6-8H,1-5H3
InChIKeyQNTPXEHCYWGTSI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.58
Rot. Bonds3

About (1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone

(1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone (PubChem CID 106681934) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
PubChem CID106681934
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)c1cnn(C)c1C
InChIInChI=1S/C15H18N2O2/c1-9-6-10(2)14(13(7-9)19-5)15(18)12-8-16-17(4)11(12)3/h6-8H,1-5H3
InChIKeyQNTPXEHCYWGTSI-UHFFFAOYSA-N
XLogP2.58
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
(3,5-dimethyl-2-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106680077
(3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106680064
(2-methoxy-4,6-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 106681878
(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681940
(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 103524383
(1,5-dimethylpyrazol-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 105133531
(5-bromo-2-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681918
(1,4-dimethylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 112742471
(2-methoxyphenyl) 1,5-dimethylpyrazole-4-carboxylate
CID 47137693
1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone
CID 106679943
(2-methoxy-4,6-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanone
CID 106680059

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone (CID 106681934) is (1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone is COc1cc(C)cc(C)c1C(=O)c1cnn(C)c1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone?
The InChIKey is QNTPXEHCYWGTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-6-10(2)14(13(7-9)19-5)15(18)12-8-16-17(4)11(12)3/h6-8H,1-5H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone?
(1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone has a molecular weight of 258.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106681934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).