[4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol

C22H24FN3O — CID 72926146

IUPAC[4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESOCc1ccc(CC2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H24FN3O/c23-21-7-5-19(6-8-21)22-20(12-24-25-22)14-26-10-9-18(13-26)11-16-1-3-17(15-27)4-2-16/h1-8,12,18,27H,9-11,13-15H2,(H,24,25)
InChIKeyYDDZBARJRLBLRK-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.77
Rot. Bonds6

About [4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol

[4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol (PubChem CID 72926146) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is [4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
PubChem CID72926146
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name[4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESOCc1ccc(CC2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H24FN3O/c23-21-7-5-19(6-8-21)22-20(12-24-25-22)14-26-10-9-18(13-26)11-16-1-3-17(15-27)4-2-16/h1-8,12,18,27H,9-11,13-15H2,(H,24,25)
InChIKeyYDDZBARJRLBLRK-UHFFFAOYSA-N
XLogP3.77
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol with MolForge

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Related Compounds

[(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol
CID 91915686
[(3S,5R)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)piperidin-3-yl]methanol
CID 70719647
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 4528395
(3S,4S)-4-(4-fluorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-ol
CID 50984812
4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole
CID 45209601
(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
CID 95871666
N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 42509972
ethyl (3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41315370
1-(4-chlorophenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 24865204
2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 30673490
4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 74246201
2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95193385

Frequently Asked Questions

What is the IUPAC name of [4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol (CID 72926146) is [4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol is OCc1ccc(CC2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)C2)cc1.
What is the InChIKey of [4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
The InChIKey is YDDZBARJRLBLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c23-21-7-5-19(6-8-21)22-20(12-24-25-22)14-26-10-9-18(13-26)11-16-1-3-17(15-27)4-2-16/h1-8,12,18,27H,9-11,13-15H2,(H,24,25).
What are the key properties of [4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol?
[4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol has a molecular weight of 365.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-yl]methyl]phenyl]methanol is sourced from PubChem (CID 72926146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).