4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol

C20H20FN3O — CID 153039721

IUPAC4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(F)cc1-c1cc(-c2ccccc2N2CCCCC2)[nH]n1
InChIInChI=1S/C20H20FN3O/c21-14-8-9-20(25)16(12-14)18-13-17(22-23-18)15-6-2-3-7-19(15)24-10-4-1-5-11-24/h2-3,6-9,12-13,25H,1,4-5,10-11H2,(H,22,23)
InChIKeyVFLBOAQQNUGYIO-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.58
Rot. Bonds3

About 4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol

4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol (PubChem CID 153039721) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol
PubChem CID153039721
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(F)cc1-c1cc(-c2ccccc2N2CCCCC2)[nH]n1
InChIInChI=1S/C20H20FN3O/c21-14-8-9-20(25)16(12-14)18-13-17(22-23-18)15-6-2-3-7-19(15)24-10-4-1-5-11-24/h2-3,6-9,12-13,25H,1,4-5,10-11H2,(H,22,23)
InChIKeyVFLBOAQQNUGYIO-UHFFFAOYSA-N
XLogP4.58
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]phenol
CID 136647220
5-fluoro-N-[[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]methyl]-2-piperidin-1-ylbenzamide
CID 156574677
5-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole
CID 138542816
4-chloro-2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol
CID 685709
5-fluoro-2-(2-hydroxyphenyl)phenol
CID 53218535
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360
N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide
CID 155106413
5-piperidin-1-yl-1H-cyclopenta[b]pyridine
CID 57251948
5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol
CID 174707193
2-[3-(1,4-diazepan-1-yl)-1H-1,2,4-triazol-5-yl]-4-fluorophenol
CID 136836431
2-(2,5-difluorophenyl)phenol
CID 53218546
3-(5-fluoro-2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117470364

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol (CID 153039721) is 4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol is Oc1ccc(F)cc1-c1cc(-c2ccccc2N2CCCCC2)[nH]n1.
What is the InChIKey of 4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is VFLBOAQQNUGYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-14-8-9-20(25)16(12-14)18-13-17(22-23-18)15-6-2-3-7-19(15)24-10-4-1-5-11-24/h2-3,6-9,12-13,25H,1,4-5,10-11H2,(H,22,23).
What are the key properties of 4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol?
4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 337.40 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[5-(2-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 153039721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).