1-ethyl-5-(4-fluorophenyl)-3-phenylpyrazole

C17H15FN2 — CID 132518121

IUPAC1-ethyl-5-(4-fluorophenyl)-3-phenylpyrazole
SMILESCCn1nc(-c2ccccc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN2/c1-2-20-17(14-8-10-15(18)11-9-14)12-16(19-20)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeyVHAIDMCAEIPJLW-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.38
Rot. Bonds3

About 1-ethyl-5-(4-fluorophenyl)-3-phenylpyrazole

1-ethyl-5-(4-fluorophenyl)-3-phenylpyrazole (PubChem CID 132518121) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-ethyl-5-(4-fluorophenyl)-3-phenylpyrazole.

Molecular Properties

Compound Name1-ethyl-5-(4-fluorophenyl)-3-phenylpyrazole
PubChem CID132518121
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name1-ethyl-5-(4-fluorophenyl)-3-phenylpyrazole
SMILESCCn1nc(-c2ccccc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H15FN2/c1-2-20-17(14-8-10-15(18)11-9-14)12-16(19-20)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeyVHAIDMCAEIPJLW-UHFFFAOYSA-N
XLogP4.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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AS-19
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Difenzoquat
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3-(4-Fluorophenyl)-2-(6-Methylpyridin-2-Yl)-5,6-Dihydro-4h-Pyrrolo(1,2-B)Pyrazole
CID 5287525
1-benzyl-3-phenyl-1H-pyrazol-5-amine
CID 684746
2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)acetonitrile
CID 477596
E-55888
CID 24825775
1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
1-(2-Hydroxyethyl)-3,5-diphenyl-1H-pyrazole
CID 128748
(3,5-Diphenyl-pyrazol-1-yl)-acetic acid
CID 824607
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CID 5191592

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-fluorophenyl)-3-phenylpyrazole?
The IUPAC name of 1-ethyl-5-(4-fluorophenyl)-3-phenylpyrazole (CID 132518121) is 1-ethyl-5-(4-fluorophenyl)-3-phenylpyrazole.
What is the SMILES notation for 1-ethyl-5-(4-fluorophenyl)-3-phenylpyrazole?
The canonical SMILES for 1-ethyl-5-(4-fluorophenyl)-3-phenylpyrazole is CCn1nc(-c2ccccc2)cc1-c1ccc(F)cc1.
What is the InChIKey of 1-ethyl-5-(4-fluorophenyl)-3-phenylpyrazole?
The InChIKey is VHAIDMCAEIPJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c1-2-20-17(14-8-10-15(18)11-9-14)12-16(19-20)13-6-4-3-5-7-13/h3-12H,2H2,1H3.
What are the key properties of 1-ethyl-5-(4-fluorophenyl)-3-phenylpyrazole?
1-ethyl-5-(4-fluorophenyl)-3-phenylpyrazole has a molecular weight of 266.32 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-fluorophenyl)-3-phenylpyrazole is sourced from PubChem (CID 132518121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).