2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol

C25H23FN4O3 — CID 164643654

IUPAC2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol
SMILESOc1cc(OCc2cnn(-c3ccccc3)c2)ccc1C1NNCC1Oc1ccccc1F
InChIInChI=1S/C25H23FN4O3/c26-21-8-4-5-9-23(21)33-24-14-27-29-25(24)20-11-10-19(12-22(20)31)32-16-17-13-28-30(15-17)18-6-2-1-3-7-18/h1-13,15,24-25,27,29,31H,14,16H2
InChIKeyPUHCNWPTYKCIPM-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.89
Rot. Bonds7

About 2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol

2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol (PubChem CID 164643654) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol.

Molecular Properties

Compound Name2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol
PubChem CID164643654
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol
SMILESOc1cc(OCc2cnn(-c3ccccc3)c2)ccc1C1NNCC1Oc1ccccc1F
InChIInChI=1S/C25H23FN4O3/c26-21-8-4-5-9-23(21)33-24-14-27-29-25(24)20-11-10-19(12-22(20)31)32-16-17-13-28-30(15-17)18-6-2-1-3-7-18/h1-13,15,24-25,27,29,31H,14,16H2
InChIKeyPUHCNWPTYKCIPM-UHFFFAOYSA-N
XLogP3.89
TPSA80.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1-phenylpyrazol-4-yl)methoxy]phenol
CID 43332182
4-[(4-chlorophenoxy)methyl]-1-phenylpyrazole
CID 60710740
3-(2-fluorophenoxy)-7-[[1-(4-fluorophenyl)pyrazol-4-yl]methoxy]chromen-4-one
CID 121476478
4-[(4-methylphenoxy)methyl]-1-phenylpyrazole
CID 60710496
4-[(4-bromophenoxy)methyl]-1-phenylpyrazole
CID 43090504
4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole
CID 117234072
4-(iodomethyl)-1-[3-(phenoxymethyl)phenyl]pyrazole
CID 126676613
1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole
CID 116804941
3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine
CID 171090153
N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 26782133
4-ethyl-2-[4-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol
CID 2368510
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 56582430

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol?
The IUPAC name of 2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol (CID 164643654) is 2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol.
What is the SMILES notation for 2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol?
The canonical SMILES for 2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol is Oc1cc(OCc2cnn(-c3ccccc3)c2)ccc1C1NNCC1Oc1ccccc1F.
What is the InChIKey of 2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol?
The InChIKey is PUHCNWPTYKCIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c26-21-8-4-5-9-23(21)33-24-14-27-29-25(24)20-11-10-19(12-22(20)31)32-16-17-13-28-30(15-17)18-6-2-1-3-7-18/h1-13,15,24-25,27,29,31H,14,16H2.
What are the key properties of 2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol?
2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol has a molecular weight of 446.48 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenoxy)pyrazolidin-3-yl]-5-[(1-phenylpyrazol-4-yl)methoxy]phenol is sourced from PubChem (CID 164643654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).