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

C19H33N3O2 — CID 129346036

IUPAC(3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
SMILESCCC(CC)n1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)n1
InChIInChI=1S/C19H33N3O2/c1-4-16(5-2)22-11-8-15(20-22)13-21-10-6-7-18(21)17-14-24-12-9-19(17,3)23/h8,11,16-18,23H,4-7,9-10,12-14H2,1-3H3/t17-,18+,19+/m0/s1
InChIKeyIYMDFPDLCCPHFU-IPMKNSEASA-N
MW335.49 g/mol
LogP3.00
Rot. Bonds6

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

(3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol (PubChem CID 129346036) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is (3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
PubChem CID129346036
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name(3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
SMILESCCC(CC)n1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)n1
InChIInChI=1S/C19H33N3O2/c1-4-16(5-2)22-11-8-15(20-22)13-21-10-6-7-18(21)17-14-24-12-9-19(17,3)23/h8,11,16-18,23H,4-7,9-10,12-14H2,1-3H3/t17-,18+,19+/m0/s1
InChIKeyIYMDFPDLCCPHFU-IPMKNSEASA-N
XLogP3.00
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
CID 129346038
(3S,4S)-3-[(2R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129491662
(3R,4R)-3-[(2R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129491527
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 64783829
(3S,4R)-3-[(2R)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol
CID 129448969
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidine-2-carbonitrile
CID 64800731
2-fluoro-5-[[2-(4-hydroxy-4-methyloxan-3-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 167902401
2-fluoro-4-[[(2R)-2-[(3S,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129491620
5-fluoro-2-[[(2R)-2-[(3S,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129491594
3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 167850506
4-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxepan-4-ol
CID 65079479
3-[[(2R)-2-[(3S,4S)-4-hydroxy-4-methyloxan-3-yl]pyrrolidin-1-yl]methyl]benzamide
CID 129483777

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of (3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol (CID 129346036) is (3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for (3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for (3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol is CCC(CC)n1ccc(CN2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)n1.
What is the InChIKey of (3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol?
The InChIKey is IYMDFPDLCCPHFU-IPMKNSEASA-N. The full InChI is InChI=1S/C19H33N3O2/c1-4-16(5-2)22-11-8-15(20-22)13-21-10-6-7-18(21)17-14-24-12-9-19(17,3)23/h8,11,16-18,23H,4-7,9-10,12-14H2,1-3H3/t17-,18+,19+/m0/s1.
What are the key properties of (3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol?
(3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol has a molecular weight of 335.49 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-3-[(2R)-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 129346036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).