(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol

C13H21N3O2 — CID 79410698

IUPAC(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(Cc2ccn(C3CCCC3)n2)C[C@@H]1O
InChIInChI=1S/C13H21N3O2/c17-12-8-15(9-13(12)18)7-10-5-6-16(14-10)11-3-1-2-4-11/h5-6,11-13,17-18H,1-4,7-9H2/t12-,13+
InChIKeyFIXLNSACGZTHIE-BETUJISGSA-N
MW251.33 g/mol
LogP0.54
Rot. Bonds3

About (3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol

(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol (PubChem CID 79410698) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
PubChem CID79410698
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
SMILESO[C@@H]1CN(Cc2ccn(C3CCCC3)n2)C[C@@H]1O
InChIInChI=1S/C13H21N3O2/c17-12-8-15(9-13(12)18)7-10-5-6-16(14-10)11-3-1-2-4-11/h5-6,11-13,17-18H,1-4,7-9H2/t12-,13+
InChIKeyFIXLNSACGZTHIE-BETUJISGSA-N
XLogP0.54
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid
CID 64784425
3-chloro-1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine
CID 64779699
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81002641
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 64777495
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidine-3-carbothioamide
CID 64801483
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 64833588
N-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 64784735
3-[[3-(chloromethyl)pyrrolidin-1-yl]methyl]-1-cyclohexylpyrazole
CID 64779907

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol (CID 79410698) is (3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol is O[C@@H]1CN(Cc2ccn(C3CCCC3)n2)C[C@@H]1O.
What is the InChIKey of (3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol?
The InChIKey is FIXLNSACGZTHIE-BETUJISGSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-12-8-15(9-13(12)18)7-10-5-6-16(14-10)11-3-1-2-4-11/h5-6,11-13,17-18H,1-4,7-9H2/t12-,13+.
What are the key properties of (3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol?
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol has a molecular weight of 251.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 79410698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).