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

C16H21N3O — CID 124814278

IUPAC(2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCn1cc(CN2CC[C@@H](O)[C@H]2Cc2ccccc2)cn1
InChIInChI=1S/C16H21N3O/c1-18-11-14(10-17-18)12-19-8-7-16(20)15(19)9-13-5-3-2-4-6-13/h2-6,10-11,15-16,20H,7-9,12H2,1H3/t15-,16-/m1/s1
InChIKeyBVOSDTKYWWFVBU-HZPDHXFCSA-N
MW271.36 g/mol
LogP1.60
Rot. Bonds4

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

(2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 124814278) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID124814278
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCn1cc(CN2CC[C@@H](O)[C@H]2Cc2ccccc2)cn1
InChIInChI=1S/C16H21N3O/c1-18-11-14(10-17-18)12-19-8-7-16(20)15(19)9-13-5-3-2-4-6-13/h2-6,10-11,15-16,20H,7-9,12H2,1H3/t15-,16-/m1/s1
InChIKeyBVOSDTKYWWFVBU-HZPDHXFCSA-N
XLogP1.60
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol;2,2,2-trifluoroacetic acid
CID 127022269
(2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 97384267
(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 97470239
4-[[(2S,3R)-2-benzyl-3-(cyclopropylmethoxy)pyrrolidin-1-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid
CID 155850176
1-[(2R,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 124821384
3-[[(2R,3R)-3-methoxy-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridine
CID 124817739
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
(2S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)piperidine
CID 95876965
(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 97470960
(2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470194
1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine
CID 45205063
3-[[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid
CID 171695847

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol (CID 124814278) is (2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol is Cn1cc(CN2CC[C@@H](O)[C@H]2Cc2ccccc2)cn1.
What is the InChIKey of (2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is BVOSDTKYWWFVBU-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H21N3O/c1-18-11-14(10-17-18)12-19-8-7-16(20)15(19)9-13-5-3-2-4-6-13/h2-6,10-11,15-16,20H,7-9,12H2,1H3/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
(2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 271.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 124814278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).