(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol

C16H20FN3O — CID 97384238

IUPAC(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCn1cc(C[C@H]2[C@H](O)CCN2Cc2ccc(F)cc2)cn1
InChIInChI=1S/C16H20FN3O/c1-19-10-13(9-18-19)8-15-16(21)6-7-20(15)11-12-2-4-14(17)5-3-12/h2-5,9-10,15-16,21H,6-8,11H2,1H3/t15-,16+/m0/s1
InChIKeyULFLVFRJVBFIPJ-JKSUJKDBSA-N
MW289.35 g/mol
LogP1.74
Rot. Bonds4

About (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol

(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 97384238) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID97384238
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCn1cc(C[C@H]2[C@H](O)CCN2Cc2ccc(F)cc2)cn1
InChIInChI=1S/C16H20FN3O/c1-19-10-13(9-18-19)8-15-16(21)6-7-20(15)11-12-2-4-14(17)5-3-12/h2-5,9-10,15-16,21H,6-8,11H2,1H3/t15-,16+/m0/s1
InChIKeyULFLVFRJVBFIPJ-JKSUJKDBSA-N
XLogP1.74
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

((2S)-1-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-2-pyrrolidinyl)methanol
CID 16189909
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)propan-2-amine
CID 16190067
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)methanamine
CID 16190145
(2R,3R,4S)-2-(hydroxymethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-3,4-diol
CID 44568548
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyltetrahydrofuran-3-amine
CID 16189951
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-3-piperidinol
CID 45196985
(4-fluorobenzyl)[(1-isopropyl-1H-pyrazol-4-yl)methyl](tetrahydrofuran-2-ylmethyl)amine
CID 46998990
(1-{[1-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl}-3-propylpiperidin-3-yl)methanol
CID 70760731
(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 97384241
(2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 97384267
(2S,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97470069
(2S,3S)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97470406

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol (CID 97384238) is (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol is Cn1cc(C[C@H]2[C@H](O)CCN2Cc2ccc(F)cc2)cn1.
What is the InChIKey of (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is ULFLVFRJVBFIPJ-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-19-10-13(9-18-19)8-15-16(21)6-7-20(15)11-12-2-4-14(17)5-3-12/h2-5,9-10,15-16,21H,6-8,11H2,1H3/t15-,16+/m0/s1.
What are the key properties of (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 289.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 97384238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).