1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone

C18H17N3O2 — CID 157130590

IUPAC1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone
SMILESCOc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1cccnc1
InChIInChI=1S/C18H17N3O2/c1-21-12-15(11-20-21)14-5-6-16(18(9-14)23-2)17(22)8-13-4-3-7-19-10-13/h3-7,9-12H,8H2,1-2H3
InChIKeyAJAFOIAGEDRKTL-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.92
Rot. Bonds5

About 1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone

1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone (PubChem CID 157130590) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone
PubChem CID157130590
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone
SMILESCOc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1cccnc1
InChIInChI=1S/C18H17N3O2/c1-21-12-15(11-20-21)14-5-6-16(18(9-14)23-2)17(22)8-13-4-3-7-19-10-13/h3-7,9-12H,8H2,1-2H3
InChIKeyAJAFOIAGEDRKTL-UHFFFAOYSA-N
XLogP2.92
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
CID 159458448
N-[4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]phenyl]-3-methylbenzamide
CID 161423334
2-(3-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
CID 161153519
1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-[3-[2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethyl]phenyl]ethanone
CID 157244229
N,N-dimethyl-2-(1-methylpyrazol-4-yl)-5-phenylmethoxy-4-(2-pyridin-3-ylacetyl)benzamide
CID 146940797
ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate
CID 139561792
1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone
CID 79698529
2-(2,6-dimethylphenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;2-(3-fluorophenyl)-1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]ethanone;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(3-methoxyphenyl)ethanone;3-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;4-[2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-oxoethyl]benzonitrile;1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-phenoxyphenyl)ethanone
CID 159554906
4-methoxy-6-(1-methylpyrazol-4-yl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyridin-3-amine
CID 58404722
1-[2-[(4-fluorophenyl)methoxy]-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]-2-pyridin-3-ylethanone
CID 158832739
1-(1-methylindol-3-yl)-2-pyridin-3-ylethanone
CID 86729069
1-(2-propoxyphenyl)-2-pyridin-3-ylethanone
CID 113438197

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone (CID 157130590) is 1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone is COc1cc(-c2cnn(C)c2)ccc1C(=O)Cc1cccnc1.
What is the InChIKey of 1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone?
The InChIKey is AJAFOIAGEDRKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21-12-15(11-20-21)14-5-6-16(18(9-14)23-2)17(22)8-13-4-3-7-19-10-13/h3-7,9-12H,8H2,1-2H3.
What are the key properties of 1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone?
1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone has a molecular weight of 307.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 157130590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).