1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone

C18H16N2O — CID 62770277

IUPAC1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone
SMILESCc1cccc(C(=O)Cn2cc(-c3ccccc3)cn2)c1
InChIInChI=1S/C18H16N2O/c1-14-6-5-9-16(10-14)18(21)13-20-12-17(11-19-20)15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyYYHQJGCCMSQTTQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.74
Rot. Bonds4

About 1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone

1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone (PubChem CID 62770277) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone
PubChem CID62770277
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone
SMILESCc1cccc(C(=O)Cn2cc(-c3ccccc3)cn2)c1
InChIInChI=1S/C18H16N2O/c1-14-6-5-9-16(10-14)18(21)13-20-12-17(11-19-20)15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyYYHQJGCCMSQTTQ-UHFFFAOYSA-N
XLogP3.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-2-(4-phenylpyrazol-1-yl)ethanone
CID 62770279
1-(4-iodophenyl)-2-(4-phenylpyrazol-1-yl)ethanone
CID 62771685
1-(3-bromophenyl)-2-(4-methylpyrazol-1-yl)ethanone
CID 60873121
1-cyclopropyl-2-(4-phenylpyrazol-1-yl)ethanone
CID 63912454
1-(3-bromophenyl)-2-(4-bromopyrazol-1-yl)ethanone
CID 61035282
2-[4-(2-phenylphenyl)pyrazol-1-yl]acetamide
CID 121499014
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(3-methylphenyl)propane-1,3-dione
CID 102810675
5-(4-phenylpyrazol-1-yl)pentan-2-one
CID 55113154
1-(3-methylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
CID 62024552
2-(4-chloropyrazol-1-yl)-1-(3-methoxyphenyl)ethanone
CID 54909682
4-(3-methylphenyl)-4-oxobutanoic acid
CID 2760002
2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid
CID 84735122

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone?
The IUPAC name of 1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone (CID 62770277) is 1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone is Cc1cccc(C(=O)Cn2cc(-c3ccccc3)cn2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone?
The InChIKey is YYHQJGCCMSQTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-14-6-5-9-16(10-14)18(21)13-20-12-17(11-19-20)15-7-3-2-4-8-15/h2-12H,13H2,1H3.
What are the key properties of 1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone?
1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone has a molecular weight of 276.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-(4-phenylpyrazol-1-yl)ethanone is sourced from PubChem (CID 62770277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).