1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol

C19H27FN4O — CID 110009563

IUPAC1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol
SMILESCC(C)Cn1ncnc1CN1CCCC1CC(O)c1ccc(F)cc1
InChIInChI=1S/C19H27FN4O/c1-14(2)11-24-19(21-13-22-24)12-23-9-3-4-17(23)10-18(25)15-5-7-16(20)8-6-15/h5-8,13-14,17-18,25H,3-4,9-12H2,1-2H3
InChIKeyMRPKJXBXJIPBIK-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.16
Rot. Bonds7

About 1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol

1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol (PubChem CID 110009563) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol
PubChem CID110009563
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol
SMILESCC(C)Cn1ncnc1CN1CCCC1CC(O)c1ccc(F)cc1
InChIInChI=1S/C19H27FN4O/c1-14(2)11-24-19(21-13-22-24)12-23-9-3-4-17(23)10-18(25)15-5-7-16(20)8-6-15/h5-8,13-14,17-18,25H,3-4,9-12H2,1-2H3
InChIKeyMRPKJXBXJIPBIK-UHFFFAOYSA-N
XLogP3.16
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol with MolForge

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Related Compounds

N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129330987
(1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 124735348
2-(2-bromoethyl)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 80671132
(1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol
CID 124737079
(1R)-1-(4-fluorophenyl)-2-[(2R)-1-[(6-methoxypyridazin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 125141845
(1S)-1-(4-fluorophenyl)-2-[(2S)-1-[(6-methoxypyridazin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 125141846
(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol
CID 125487473
2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79535788
(1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol
CID 129392359
(2S)-2-methyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]piperazine
CID 82755900
1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 120901751
1-(4-fluorophenyl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]ethanol;hydrochloride
CID 120901750

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol (CID 110009563) is 1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol is CC(C)Cn1ncnc1CN1CCCC1CC(O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol?
The InChIKey is MRPKJXBXJIPBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-14(2)11-24-19(21-13-22-24)12-23-9-3-4-17(23)10-18(25)15-5-7-16(20)8-6-15/h5-8,13-14,17-18,25H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol?
1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol has a molecular weight of 346.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 110009563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).