5-fluoro-2-(1-propylpyrazol-4-yl)phenol

C12H13FN2O — CID 83130519

IUPAC5-fluoro-2-(1-propylpyrazol-4-yl)phenol
SMILESCCCn1cc(-c2ccc(F)cc2O)cn1
InChIInChI=1S/C12H13FN2O/c1-2-5-15-8-9(7-14-15)11-4-3-10(13)6-12(11)16/h3-4,6-8,16H,2,5H2,1H3
InChIKeyZSRYSCQBPOARTD-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.80
Rot. Bonds3

About 5-fluoro-2-(1-propylpyrazol-4-yl)phenol

5-fluoro-2-(1-propylpyrazol-4-yl)phenol (PubChem CID 83130519) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-fluoro-2-(1-propylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name5-fluoro-2-(1-propylpyrazol-4-yl)phenol
PubChem CID83130519
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name5-fluoro-2-(1-propylpyrazol-4-yl)phenol
SMILESCCCn1cc(-c2ccc(F)cc2O)cn1
InChIInChI=1S/C12H13FN2O/c1-2-5-15-8-9(7-14-15)11-4-3-10(13)6-12(11)16/h3-4,6-8,16H,2,5H2,1H3
InChIKeyZSRYSCQBPOARTD-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(1-propylpyrazol-4-yl)aniline
CID 104781165
2-chloro-5-(1-propylpyrazol-4-yl)phenol
CID 83130316
2-fluoro-6-(1-propylpyrazol-4-yl)benzoic acid
CID 114560299
4-(1-butylpyrazol-4-yl)naphthalen-1-ol
CID 171396893
3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane
CID 161404196
6-methyl-5-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 79048911
2-(2-chloro-4-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 63035451
2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid
CID 166241060
4-fluoro-2-[1-(2-methoxyethyl)pyrazol-4-yl]aniline
CID 171116020
tert-butyl 4-[[4-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 172907087
(4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 81274285
(2-bromo-5-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 114981635

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-propylpyrazol-4-yl)phenol?
The IUPAC name of 5-fluoro-2-(1-propylpyrazol-4-yl)phenol (CID 83130519) is 5-fluoro-2-(1-propylpyrazol-4-yl)phenol.
What is the SMILES notation for 5-fluoro-2-(1-propylpyrazol-4-yl)phenol?
The canonical SMILES for 5-fluoro-2-(1-propylpyrazol-4-yl)phenol is CCCn1cc(-c2ccc(F)cc2O)cn1.
What is the InChIKey of 5-fluoro-2-(1-propylpyrazol-4-yl)phenol?
The InChIKey is ZSRYSCQBPOARTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-2-5-15-8-9(7-14-15)11-4-3-10(13)6-12(11)16/h3-4,6-8,16H,2,5H2,1H3.
What are the key properties of 5-fluoro-2-(1-propylpyrazol-4-yl)phenol?
5-fluoro-2-(1-propylpyrazol-4-yl)phenol has a molecular weight of 220.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-propylpyrazol-4-yl)phenol is sourced from PubChem (CID 83130519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).