2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone

C14H15ClN2O2 — CID 62129687

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C14H15ClN2O2/c1-9-14(15)10(2)17(16-9)8-13(18)11-4-6-12(19-3)7-5-11/h4-7H,8H2,1-3H3
InChIKeyQYGLVHUSKHRNLD-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.04
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone (PubChem CID 62129687) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone
PubChem CID62129687
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C14H15ClN2O2/c1-9-14(15)10(2)17(16-9)8-13(18)11-4-6-12(19-3)7-5-11/h4-7H,8H2,1-3H3
InChIKeyQYGLVHUSKHRNLD-UHFFFAOYSA-N
XLogP3.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-iodophenyl)ethanone
CID 62128836
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 62129518
4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7419620
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(7-methoxyquinolin-3-yl)acetamide
CID 95744862
1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
CID 4919023
1-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 62129519
6-methoxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061881
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3-nitrophenyl)ethanone
CID 62131043
2-(5-bromo-2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methoxyphenyl)ethanone
CID 1493620
2-[5-(4-bromophenyl)tetrazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 9421908
4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide
CID 63577103
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 62129863

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone (CID 62129687) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cn2nc(C)c(Cl)c2C)cc1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is QYGLVHUSKHRNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-14(15)10(2)17(16-9)8-13(18)11-4-6-12(19-3)7-5-11/h4-7H,8H2,1-3H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 278.74 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 62129687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).