2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone

C12H11ClN2O2 — CID 54909682

IUPAC2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)Cn2cc(Cl)cn2)c1
InChIInChI=1S/C12H11ClN2O2/c1-17-11-4-2-3-9(5-11)12(16)8-15-7-10(13)6-14-15/h2-7H,8H2,1H3
InChIKeyLZFPRJBZDJKHER-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.43
Rot. Bonds4

About 2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone

2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone (PubChem CID 54909682) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone
PubChem CID54909682
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(C(=O)Cn2cc(Cl)cn2)c1
InChIInChI=1S/C12H11ClN2O2/c1-17-11-4-2-3-9(5-11)12(16)8-15-7-10(13)6-14-15/h2-7H,8H2,1H3
InChIKeyLZFPRJBZDJKHER-UHFFFAOYSA-N
XLogP2.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloropyrazol-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 54909683
2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 62849259
2-(4-chloropyrazol-1-yl)-1-(3,4-difluorophenyl)ethanone
CID 54909826
(E)-3-[3-[(4-chloropyrazol-1-yl)methyl]-4-methoxyphenyl]-1-(3-methoxyphenyl)prop-2-en-1-one
CID 19560711
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
N-[4-(4-chloropyrazol-1-yl)phenyl]-3-methoxybenzamide
CID 35761483
1-[3-[(2S)-3-(4-chloropyrazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 97327179
2-(3-chlorophenyl)sulfanyl-1-(3-methoxyphenyl)ethanone
CID 55101851
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
2-(4-ethylpiperazin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 43219308
6-methoxy-2-[2-(3-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061863
1-(3-chlorophenyl)-2-[3-[2-(3-methoxyphenyl)-2-oxoethyl]imidazol-3-ium-1-yl]ethanone
CID 87987175

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone (CID 54909682) is 2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone is COc1cccc(C(=O)Cn2cc(Cl)cn2)c1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone?
The InChIKey is LZFPRJBZDJKHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-17-11-4-2-3-9(5-11)12(16)8-15-7-10(13)6-14-15/h2-7H,8H2,1H3.
What are the key properties of 2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone?
2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone has a molecular weight of 250.69 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 54909682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).