(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone

C18H16N2O — CID 105120280

IUPAC(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone
SMILESCCc1cccc(C(=O)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C18H16N2O/c1-2-14-7-6-8-15(11-14)18(21)16-12-19-20(13-16)17-9-4-3-5-10-17/h3-13H,2H2,1H3
InChIKeyXPCBCSISOYHWSA-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.67
Rot. Bonds4

About (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone

(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone (PubChem CID 105120280) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone
PubChem CID105120280
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone
SMILESCCc1cccc(C(=O)c2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C18H16N2O/c1-2-14-7-6-8-15(11-14)18(21)16-12-19-20(13-16)17-9-4-3-5-10-17/h3-13H,2H2,1H3
InChIKeyXPCBCSISOYHWSA-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 43340191
(1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 10757758
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
1-(4-ethylphenyl)pyrazole-4-carboxylic acid
CID 82365536
(5-fluoro-3-pyridinyl)-(1-phenylpyrazol-4-yl)methanone
CID 105081916
(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone
CID 43463443
(1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone
CID 114990512
(4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone
CID 105132583
N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18116117
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
2-oxopropyl 1-phenylpyrazole-4-carboxylate
CID 55425880
1-(1-phenylpyrazol-4-yl)heptan-1-one
CID 114752131

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone (CID 105120280) is (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone is CCc1cccc(C(=O)c2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is XPCBCSISOYHWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-2-14-7-6-8-15(11-14)18(21)16-12-19-20(13-16)17-9-4-3-5-10-17/h3-13H,2H2,1H3.
What are the key properties of (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone?
(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 105120280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).