[(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol

C16H21N3O2 — CID 128979855

IUPAC[(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(Cc2ccn(-c3ccccc3)n2)C1
InChIInChI=1S/C16H21N3O2/c1-21-16-9-15(12-20)18(11-16)10-13-7-8-19(17-13)14-5-3-2-4-6-14/h2-8,15-16,20H,9-12H2,1H3/t15-,16+/m0/s1
InChIKeyLJAAQIPZPXBWKM-JKSUJKDBSA-N
MW287.36 g/mol
LogP1.45
Rot. Bonds5

About [(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol

[(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 128979855) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID128979855
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCO[C@@H]1C[C@@H](CO)N(Cc2ccn(-c3ccccc3)n2)C1
InChIInChI=1S/C16H21N3O2/c1-21-16-9-15(12-20)18(11-16)10-13-7-8-19(17-13)14-5-3-2-4-6-14/h2-8,15-16,20H,9-12H2,1H3/t15-,16+/m0/s1
InChIKeyLJAAQIPZPXBWKM-JKSUJKDBSA-N
XLogP1.45
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4R)-1-[[1-(4-chlorophenyl)pyrazol-3-yl]methyl]-4-methoxypyrrolidin-2-yl]methanol
CID 128983482
[(2S,4R)-4-methoxy-1-[(1-phenyltetrazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 128970681
[(2S,4R)-4-methoxy-1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 154757023
[(2S,4S)-1-(1-benzofuran-3-ylmethyl)-4-methoxypyrrolidin-2-yl]methanol
CID 167800041
4-methoxy-1-[[1-[(1-phenylpyrazol-3-yl)methyl]triazol-4-yl]methyl]piperidine
CID 138029905
2-[4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]phenyl]benzonitrile
CID 167966270
[(2S,4R)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidin-2-yl]methanol
CID 128980119
(2S,4R)-1-benzyl-2-(fluoromethyl)-4-methoxypyrrolidine
CID 135010272
1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole
CID 63811432
5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole
CID 128982309
3-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]benzamide
CID 128971410
2-ethyl-4-methoxy-1-phenylpyrrolidine
CID 154695448

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol (CID 128979855) is [(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol is CO[C@@H]1C[C@@H](CO)N(Cc2ccn(-c3ccccc3)n2)C1.
What is the InChIKey of [(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is LJAAQIPZPXBWKM-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-16-9-15(12-20)18(11-16)10-13-7-8-19(17-13)14-5-3-2-4-6-14/h2-8,15-16,20H,9-12H2,1H3/t15-,16+/m0/s1.
What are the key properties of [(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol?
[(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 287.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 128979855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).