2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol

C18H13FN4O — CID 135436589

IUPAC2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1-c1[nH]ncc1-c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C18H13FN4O/c19-12-7-5-11(6-8-12)15-9-16(22-21-15)14-10-20-23-18(14)13-3-1-2-4-17(13)24/h1-10,24H,(H,20,23)(H,21,22)
InChIKeyNOHRVJIXOVMKSL-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.98
Rot. Bonds3

About 2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol

2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol (PubChem CID 135436589) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol
PubChem CID135436589
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1-c1[nH]ncc1-c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C18H13FN4O/c19-12-7-5-11(6-8-12)15-9-16(22-21-15)14-10-20-23-18(14)13-3-1-2-4-17(13)24/h1-10,24H,(H,20,23)(H,21,22)
InChIKeyNOHRVJIXOVMKSL-UHFFFAOYSA-N
XLogP3.98
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

o-(1H-pyrazol-3-yl)phenol
CID 819511
Vrt-532
CID 781239
4-Fluoro-2-(1H-pyrazol-3-yl)phenol
CID 5068606
2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 136226476
2-[5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-yl]phenol
CID 762936
2-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)phenol
CID 759784
2-[5-(4-tert-Butyl-phenyl)-1H-pyrazol-3-yl]-phenol
CID 775984
5-Methyl-2-(5-p-tolyl-1H-pyrazol-3-yl)-phenol
CID 775990
2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-5-methyl-phenol
CID 781217
2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781202
Phenol, 4-(3-(4-hydroxyphenyl)-1H-pyrazol-4-yl)-
CID 135567074
2,4-difluoro-6-(1H-pyrazol-5-yl)phenol
CID 2804885

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol (CID 135436589) is 2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol is Oc1ccccc1-c1[nH]ncc1-c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol?
The InChIKey is NOHRVJIXOVMKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c19-12-7-5-11(6-8-12)15-9-16(22-21-15)14-10-20-23-18(14)13-3-1-2-4-17(13)24/h1-10,24H,(H,20,23)(H,21,22).
What are the key properties of 2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol?
2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol has a molecular weight of 320.33 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 135436589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).