5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole

C11H11FN2O — CID 58898710

IUPAC5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole
SMILESCCOc1cc(F)ccc1-c1ccn[nH]1
InChIInChI=1S/C11H11FN2O/c1-2-15-11-7-8(12)3-4-9(11)10-5-6-13-14-10/h3-7H,2H2,1H3,(H,13,14)
InChIKeyVKMFGLVARMVCHC-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.61
Rot. Bonds3

About 5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole

5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole (PubChem CID 58898710) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole
PubChem CID58898710
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole
SMILESCCOc1cc(F)ccc1-c1ccn[nH]1
InChIInChI=1S/C11H11FN2O/c1-2-15-11-7-8(12)3-4-9(11)10-5-6-13-14-10/h3-7H,2H2,1H3,(H,13,14)
InChIKeyVKMFGLVARMVCHC-UHFFFAOYSA-N
XLogP2.61
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole?
The IUPAC name of 5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole (CID 58898710) is 5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole is CCOc1cc(F)ccc1-c1ccn[nH]1.
What is the InChIKey of 5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole?
The InChIKey is VKMFGLVARMVCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-2-15-11-7-8(12)3-4-9(11)10-5-6-13-14-10/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of 5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole?
5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole has a molecular weight of 206.22 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-4-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 58898710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).