4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol

C12H13FN2O — CID 145330919

IUPAC4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol
SMILESCCCc1cc(-c2cc(F)ccc2O)n[nH]1
InChIInChI=1S/C12H13FN2O/c1-2-3-9-7-11(15-14-9)10-6-8(13)4-5-12(10)16/h4-7,16H,2-3H2,1H3,(H,14,15)
InChIKeyIJMBWBWOPBZWTP-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.87
Rot. Bonds3

About 4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol

4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol (PubChem CID 145330919) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol
PubChem CID145330919
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol
SMILESCCCc1cc(-c2cc(F)ccc2O)n[nH]1
InChIInChI=1S/C12H13FN2O/c1-2-3-9-7-11(15-14-9)10-6-8(13)4-5-12(10)16/h4-7,16H,2-3H2,1H3,(H,14,15)
InChIKeyIJMBWBWOPBZWTP-UHFFFAOYSA-N
XLogP2.87
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol?
The IUPAC name of 4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol (CID 145330919) is 4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol.
What is the SMILES notation for 4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol?
The canonical SMILES for 4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol is CCCc1cc(-c2cc(F)ccc2O)n[nH]1.
What is the InChIKey of 4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol?
The InChIKey is IJMBWBWOPBZWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-2-3-9-7-11(15-14-9)10-6-8(13)4-5-12(10)16/h4-7,16H,2-3H2,1H3,(H,14,15).
What are the key properties of 4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol?
4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol has a molecular weight of 220.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(5-propyl-1H-pyrazol-3-yl)phenol is sourced from PubChem (CID 145330919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).