(3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol

C9H15N3O2 — CID 115278412

IUPAC(3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(CCn2cccn2)C[C@@H]1O
InChIInChI=1S/C9H15N3O2/c13-8-6-11(7-9(8)14)4-5-12-3-1-2-10-12/h1-3,8-9,13-14H,4-7H2/t8-,9+
InChIKeyUYWBZMHIZBNRTM-DTORHVGOSA-N
MW197.24 g/mol
LogP-1.08
Rot. Bonds3

About (3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol

(3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol (PubChem CID 115278412) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol
PubChem CID115278412
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(CCn2cccn2)C[C@@H]1O
InChIInChI=1S/C9H15N3O2/c13-8-6-11(7-9(8)14)4-5-12-3-1-2-10-12/h1-3,8-9,13-14H,4-7H2/t8-,9+
InChIKeyUYWBZMHIZBNRTM-DTORHVGOSA-N
XLogP-1.08
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol?
The IUPAC name of (3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol (CID 115278412) is (3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol is O[C@@H]1CN(CCn2cccn2)C[C@@H]1O.
What is the InChIKey of (3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol?
The InChIKey is UYWBZMHIZBNRTM-DTORHVGOSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-8-6-11(7-9(8)14)4-5-12-3-1-2-10-12/h1-3,8-9,13-14H,4-7H2/t8-,9+.
What are the key properties of (3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol?
(3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol has a molecular weight of 197.24 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 115278412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).