4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole

C12H13FN2 — CID 90292619

IUPAC4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole
SMILESCCc1cc(F)c(-c2cn[nH]c2)cc1C
InChIInChI=1S/C12H13FN2/c1-3-9-5-12(13)11(4-8(9)2)10-6-14-15-7-10/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyZSWMKNPGPNAPTF-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.09
Rot. Bonds2

About 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole

4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole (PubChem CID 90292619) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole
PubChem CID90292619
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole
SMILESCCc1cc(F)c(-c2cn[nH]c2)cc1C
InChIInChI=1S/C12H13FN2/c1-3-9-5-12(13)11(4-8(9)2)10-6-14-15-7-10/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyZSWMKNPGPNAPTF-UHFFFAOYSA-N
XLogP3.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole?
The IUPAC name of 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole (CID 90292619) is 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole?
The canonical SMILES for 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole is CCc1cc(F)c(-c2cn[nH]c2)cc1C.
What is the InChIKey of 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole?
The InChIKey is ZSWMKNPGPNAPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-3-9-5-12(13)11(4-8(9)2)10-6-14-15-7-10/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole?
4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole has a molecular weight of 204.25 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 90292619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).