(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol

C9H15N3O3 — CID 177364855

IUPAC(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol
SMILESCn1nccc1[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H15N3O3/c1-12-6(2-3-10-12)7-9(15)8(14)5(4-13)11-7/h2-3,5,7-9,11,13-15H,4H2,1H3/t5-,7+,8-,9+/m1/s1
InChIKeyINESRZZMOFMRGD-JYFAAPFMSA-N
MW213.24 g/mol
LogP-1.85
Rot. Bonds2

About (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol

(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol (PubChem CID 177364855) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol
PubChem CID177364855
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol
SMILESCn1nccc1[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H15N3O3/c1-12-6(2-3-10-12)7-9(15)8(14)5(4-13)11-7/h2-3,5,7-9,11,13-15H,4H2,1H3/t5-,7+,8-,9+/m1/s1
InChIKeyINESRZZMOFMRGD-JYFAAPFMSA-N
XLogP-1.85
TPSA90.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol with MolForge

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Related Compounds

(2S,3S,4R,5R)-2-[1-[(6E)-5-amino-6-[1-(1-methylpyrazol-3-yl)ethylidene]-1,2,4-triazin-1-yl]ethenyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 174346794
(6S,7S,7aR)-2,2,5-trimethyl-6-(2-methylpyrazol-3-yl)-4a,6,7,7a-tetrahydro-4H-[1,3]dioxino[5,4-b]pyrrol-7-ol
CID 177364819
[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol
CID 177364885
methanol;[(2S,5R)-5-(2-methylpyrazol-3-yl)pyrrolidin-2-yl]methanol
CID 177365006
(2-Methylpyrazol-3-yl)-pyrrolidin-2-ylmethanol
CID 19971529
2-{[1-(1-methyl-1H-pyrazol-5-yl)propyl]amino}propane-1,3-diol
CID 50951907
1-(2-Methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
CID 63961188
N-methyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
CID 63962872
N-ethyl-1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
CID 63962873
N-[1-(2-methylpyrazol-3-yl)-2-(oxolan-2-yl)ethyl]propan-1-amine
CID 63962874
2-(Oxolan-2-yl)-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974245
1-(2-Ethylpyrazol-3-yl)-2-(oxolan-2-yl)ethanamine
CID 63974246

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol (CID 177364855) is (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol is Cn1nccc1[C@@H]1N[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol?
The InChIKey is INESRZZMOFMRGD-JYFAAPFMSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-12-6(2-3-10-12)7-9(15)8(14)5(4-13)11-7/h2-3,5,7-9,11,13-15H,4H2,1H3/t5-,7+,8-,9+/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol?
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol has a molecular weight of 213.24 g/mol, XLogP of -1.85, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-(hydroxymethyl)-5-(2-methylpyrazol-3-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 177364855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).