1-(2,4-dichlorophenyl)-2-(5-phenylmethoxy-1H-pyrazol-4-yl)ethanone

C18H14Cl2N2O2 — CID 66652094

IUPAC1-(2,4-dichlorophenyl)-2-(5-phenylmethoxy-1H-pyrazol-4-yl)ethanone
SMILESO=C(Cc1cn[nH]c1OCc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H14Cl2N2O2/c19-14-6-7-15(16(20)9-14)17(23)8-13-10-21-22-18(13)24-11-12-4-2-1-3-5-12/h1-7,9-10H,8,11H2,(H,21,22)
InChIKeyMEOWTINXBVPIGR-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.72
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-2-(5-phenylmethoxy-1H-pyrazol-4-yl)ethanone

1-(2,4-dichlorophenyl)-2-(5-phenylmethoxy-1H-pyrazol-4-yl)ethanone (PubChem CID 66652094) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(5-phenylmethoxy-1H-pyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(5-phenylmethoxy-1H-pyrazol-4-yl)ethanone
PubChem CID66652094
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name1-(2,4-dichlorophenyl)-2-(5-phenylmethoxy-1H-pyrazol-4-yl)ethanone
SMILESO=C(Cc1cn[nH]c1OCc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H14Cl2N2O2/c19-14-6-7-15(16(20)9-14)17(23)8-13-10-21-22-18(13)24-11-12-4-2-1-3-5-12/h1-7,9-10H,8,11H2,(H,21,22)
InChIKeyMEOWTINXBVPIGR-UHFFFAOYSA-N
XLogP4.72
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(5-phenylmethoxy-1H-pyrazol-4-yl)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(5-phenylmethoxy-1H-pyrazol-4-yl)ethanone (CID 66652094) is 1-(2,4-dichlorophenyl)-2-(5-phenylmethoxy-1H-pyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(5-phenylmethoxy-1H-pyrazol-4-yl)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(5-phenylmethoxy-1H-pyrazol-4-yl)ethanone is O=C(Cc1cn[nH]c1OCc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(5-phenylmethoxy-1H-pyrazol-4-yl)ethanone?
The InChIKey is MEOWTINXBVPIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c19-14-6-7-15(16(20)9-14)17(23)8-13-10-21-22-18(13)24-11-12-4-2-1-3-5-12/h1-7,9-10H,8,11H2,(H,21,22).
What are the key properties of 1-(2,4-dichlorophenyl)-2-(5-phenylmethoxy-1H-pyrazol-4-yl)ethanone?
1-(2,4-dichlorophenyl)-2-(5-phenylmethoxy-1H-pyrazol-4-yl)ethanone has a molecular weight of 361.23 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(5-phenylmethoxy-1H-pyrazol-4-yl)ethanone is sourced from PubChem (CID 66652094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).