1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone

C17H14N2O — CID 155037922

IUPAC1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C17H14N2O/c1-12(20)13-7-9-15(10-8-13)17-11-16(18-19-17)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)
InChIKeyWJNYZXQOKDVSBW-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.95
Rot. Bonds3

About 1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone

1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone (PubChem CID 155037922) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone
PubChem CID155037922
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C17H14N2O/c1-12(20)13-7-9-15(10-8-13)17-11-16(18-19-17)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19)
InChIKeyWJNYZXQOKDVSBW-UHFFFAOYSA-N
XLogP3.95
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]benzoic acid
CID 118577360
2-[4-[3-(4-phenacylphenyl)-1H-pyrazol-5-yl]phenyl]-1-phenylethanone
CID 165084092
ethane;methyl 4-[3-[3-[5-(4-methoxycarbonylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]benzoate
CID 144790688
1-phenyl-1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]urea
CID 68813926
formaldehyde;1-(4-phenylphenyl)ethanone
CID 70138371
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 93017305
N-[4-[3-[3-[5-(4-acetamidophenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]phenyl]acetamide
CID 118529604
4-hydroxy-3-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135412754
1-[3-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenyl]ethanone
CID 141253759
1-[4-(dimethylamino)phenyl]ethanone;4-methoxybenzoyl chloride;4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-N,N-dimethylaniline
CID 160572300

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone (CID 155037922) is 1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone is CC(=O)c1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of 1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone?
The InChIKey is WJNYZXQOKDVSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12(20)13-7-9-15(10-8-13)17-11-16(18-19-17)14-5-3-2-4-6-14/h2-11H,1H3,(H,18,19).
What are the key properties of 1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone?
1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone has a molecular weight of 262.31 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-phenyl-1H-pyrazol-5-yl)phenyl]ethanone is sourced from PubChem (CID 155037922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).