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

C15H19FN2O — CID 154962009

IUPAC4-butyl-5-(2-ethoxy-5-fluorophenyl)-1H-pyrazole
SMILESCCCCc1cn[nH]c1-c1cc(F)ccc1OCC
InChIInChI=1S/C15H19FN2O/c1-3-5-6-11-10-17-18-15(11)13-9-12(16)7-8-14(13)19-4-2/h7-10H,3-6H2,1-2H3,(H,17,18)
InChIKeyLRMYHGCSTBPHPF-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.96
Rot. Bonds6

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

4-butyl-5-(2-ethoxy-5-fluorophenyl)-1H-pyrazole (PubChem CID 154962009) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-butyl-5-(2-ethoxy-5-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-butyl-5-(2-ethoxy-5-fluorophenyl)-1H-pyrazole
PubChem CID154962009
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-butyl-5-(2-ethoxy-5-fluorophenyl)-1H-pyrazole
SMILESCCCCc1cn[nH]c1-c1cc(F)ccc1OCC
InChIInChI=1S/C15H19FN2O/c1-3-5-6-11-10-17-18-15(11)13-9-12(16)7-8-14(13)19-4-2/h7-10H,3-6H2,1-2H3,(H,17,18)
InChIKeyLRMYHGCSTBPHPF-UHFFFAOYSA-N
XLogP3.96
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-phenoxyphenyl)-1H-pyrazole
CID 2806138
4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1H-pyrazole
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3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole
CID 9816478
4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole
CID 2806185
5-Ethoxy-2-(4-phenyl-1H-pyrazol-3-YL)phenol
CID 764775
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
3-(3-Methoxyphenyl)-1H-Pyrazole
CID 2736766
4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole
CID 2055996
3,5-dimethyl-4-[3-(4-methylphenoxy)propyl]-1H-pyrazole
CID 2056430
CID 16187655
CID 16187655
5-(4-Butoxy-phenyl)-1H-pyrazole
CID 10198293

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-(2-ethoxy-5-fluorophenyl)-1H-pyrazole?
The IUPAC name of 4-butyl-5-(2-ethoxy-5-fluorophenyl)-1H-pyrazole (CID 154962009) is 4-butyl-5-(2-ethoxy-5-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 4-butyl-5-(2-ethoxy-5-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 4-butyl-5-(2-ethoxy-5-fluorophenyl)-1H-pyrazole is CCCCc1cn[nH]c1-c1cc(F)ccc1OCC.
What is the InChIKey of 4-butyl-5-(2-ethoxy-5-fluorophenyl)-1H-pyrazole?
The InChIKey is LRMYHGCSTBPHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-3-5-6-11-10-17-18-15(11)13-9-12(16)7-8-14(13)19-4-2/h7-10H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 4-butyl-5-(2-ethoxy-5-fluorophenyl)-1H-pyrazole?
4-butyl-5-(2-ethoxy-5-fluorophenyl)-1H-pyrazole has a molecular weight of 262.33 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-(2-ethoxy-5-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 154962009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).