4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole

C15H19FN2O — CID 2055996

IUPAC4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CCCCOc1ccccc1F
InChIInChI=1S/C15H19FN2O/c1-11-13(12(2)18-17-11)7-5-6-10-19-15-9-4-3-8-14(15)16/h3-4,8-9H,5-7,10H2,1-2H3,(H,17,18)
InChIKeyFBYTVXTWDMDMHP-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.57
Rot. Bonds6

About 4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole

4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 2055996) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole
PubChem CID2055996
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CCCCOc1ccccc1F
InChIInChI=1S/C15H19FN2O/c1-11-13(12(2)18-17-11)7-5-6-10-19-15-9-4-3-8-14(15)16/h3-4,8-9H,5-7,10H2,1-2H3,(H,17,18)
InChIKeyFBYTVXTWDMDMHP-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-bis(4-methoxyphenyl)-1H-pyrazole
CID 658538
3-(3-(3,5-Dimethyl-1H-pyrazol-4-yl)-propoxy)-4-fluoro-benzoic acid methyl ester
CID 90235879
3,5-dimethyl-4-[4-(4-methylphenoxy)butyl]-1H-pyrazole
CID 2057777
4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1H-pyrazole
CID 2058016
3-(3,5-diethyl-1H-pyrazol-4-yloxy)-5-methylbenzonitrile
CID 21949901
4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 745487
Ethyl 2-(3-(5-(trifluoromethyl)-1H-pyrazol-3-yl)phenoxy)acetate (3b)
CID 127054047
Ethyl 2-(3-(3-(difluoromethyl)-1H-pyrazol-5-yl)phenoxy)acetate (3c)
CID 127054048
3-(3-Methoxyphenyl)-5-(Trifluoromethyl)-1h-Pyrazole
CID 22352557
3,5-dimethyl-4-[3-(4-methylphenoxy)propyl]-1H-pyrazole
CID 2056430
3,5-dimethyl-4-[4-(4-nitrophenoxy)butyl]-1H-pyrazole
CID 2237961

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole (CID 2055996) is 4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1CCCCOc1ccccc1F.
What is the InChIKey of 4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is FBYTVXTWDMDMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-11-13(12(2)18-17-11)7-5-6-10-19-15-9-4-3-8-14(15)16/h3-4,8-9H,5-7,10H2,1-2H3,(H,17,18).
What are the key properties of 4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole?
4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 262.33 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 2055996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).