(3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol

C16H27N3O2 — CID 129448969

IUPAC(3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
SMILESCC(C)n1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)n1
InChIInChI=1S/C16H27N3O2/c1-12(2)19-8-5-13(17-19)10-18-7-3-4-15(18)14-11-21-9-6-16(14)20/h5,8,12,14-16,20H,3-4,6-7,9-11H2,1-2H3/t14-,15-,16-/m1/s1
InChIKeyVQOJIHYKJBBASV-BZUAXINKSA-N
MW293.41 g/mol
LogP1.83
Rot. Bonds4

About (3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol

(3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol (PubChem CID 129448969) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
PubChem CID129448969
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
SMILESCC(C)n1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)n1
InChIInChI=1S/C16H27N3O2/c1-12(2)19-8-5-13(17-19)10-18-7-3-4-15(18)14-11-21-9-6-16(14)20/h5,8,12,14-16,20H,3-4,6-7,9-11H2,1-2H3/t14-,15-,16-/m1/s1
InChIKeyVQOJIHYKJBBASV-BZUAXINKSA-N
XLogP1.83
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol with MolForge

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Related Compounds

3-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
CID 106471105
3-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
CID 167884918
(3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
CID 129346036
(3S,4S)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
CID 129346038
3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine
CID 64799407
2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid
CID 64771683
3-[1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]oxan-4-ol
CID 167807931
1-(oxolan-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65330460
4-fluoro-3-[[(2R)-2-[(3R,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methyl]benzonitrile
CID 100704961
4-fluoro-2-[[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 128965415
3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]propanoic acid
CID 64772222
(1S)-1-(4-methoxyphenyl)-1-[(2S)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 100666179

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of (3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol (CID 129448969) is (3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for (3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for (3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol is CC(C)n1ccc(CN2CCC[C@@H]2[C@H]2COCC[C@H]2O)n1.
What is the InChIKey of (3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol?
The InChIKey is VQOJIHYKJBBASV-BZUAXINKSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)19-8-5-13(17-19)10-18-7-3-4-15(18)14-11-21-9-6-16(14)20/h5,8,12,14-16,20H,3-4,6-7,9-11H2,1-2H3/t14-,15-,16-/m1/s1.
What are the key properties of (3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol?
(3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol has a molecular weight of 293.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 129448969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).