4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol

C13H9FN2O — CID 171476207

IUPAC4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol
SMILESOc1cc2ccccc2c(F)c1-c1ccn[nH]1
InChIInChI=1S/C13H9FN2O/c14-13-9-4-2-1-3-8(9)7-11(17)12(13)10-5-6-15-16-10/h1-7,17H,(H,15,16)
InChIKeyDZOWUNBNRDROJN-UHFFFAOYSA-N
MW228.23 g/mol
LogP3.07
Rot. Bonds1

About 4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol

4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol (PubChem CID 171476207) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol.

Molecular Properties

Compound Name4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol
PubChem CID171476207
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol
SMILESOc1cc2ccccc2c(F)c1-c1ccn[nH]1
InChIInChI=1S/C13H9FN2O/c14-13-9-4-2-1-3-8(9)7-11(17)12(13)10-5-6-15-16-10/h1-7,17H,(H,15,16)
InChIKeyDZOWUNBNRDROJN-UHFFFAOYSA-N
XLogP3.07
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

o-(1H-pyrazol-3-yl)phenol
CID 819511
4-Fluoro-2-(1H-pyrazol-3-yl)phenol
CID 5068606
Hydroxybenzindazole
CID 97667
2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 136226476
2-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)phenol
CID 759784
2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-5-methyl-phenol
CID 781217
5-(6-methoxy-2-naphthyl)-1H-pyrazole
CID 2740829
Phenol, 4-(3-(4-hydroxyphenyl)-1H-pyrazol-4-yl)-
CID 135567074
2,4-difluoro-6-(1H-pyrazol-5-yl)phenol
CID 2804885
2-[5-(3-fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 644655
4-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 775994
2-(5-(3-fluorophenyl)-1H-pyrazol-3-yl)-5-methylphenol
CID 775998

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol?
The IUPAC name of 4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol (CID 171476207) is 4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol.
What is the SMILES notation for 4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol?
The canonical SMILES for 4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol is Oc1cc2ccccc2c(F)c1-c1ccn[nH]1.
What is the InChIKey of 4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol?
The InChIKey is DZOWUNBNRDROJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-13-9-4-2-1-3-8(9)7-11(17)12(13)10-5-6-15-16-10/h1-7,17H,(H,15,16).
What are the key properties of 4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol?
4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol has a molecular weight of 228.23 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol is sourced from PubChem (CID 171476207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).