(3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone

C13H14N2O2 — CID 910410

IUPAC(3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C13H14N2O2/c1-9-8-10(2)15(14-9)13(16)11-4-6-12(17-3)7-5-11/h4-8H,1-3H3
InChIKeyGBKXJGMLDPJSEI-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.20
Rot. Bonds2

About (3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone

(3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone (PubChem CID 910410) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone
PubChem CID910410
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C13H14N2O2/c1-9-8-10(2)15(14-9)13(16)11-4-6-12(17-3)7-5-11/h4-8H,1-3H3
InChIKeyGBKXJGMLDPJSEI-UHFFFAOYSA-N
XLogP2.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone (CID 910410) is (3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)n2nc(C)cc2C)cc1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone?
The InChIKey is GBKXJGMLDPJSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-8-10(2)15(14-9)13(16)11-4-6-12(17-3)7-5-11/h4-8H,1-3H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone?
(3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone has a molecular weight of 230.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 910410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).