1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole

C16H27N3O2 — CID 124862282

IUPAC1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole
SMILESCc1c([C@@H]2CCCN2CCO[C@H]2CCCCO2)cnn1C
InChIInChI=1S/C16H27N3O2/c1-13-14(12-17-18(13)2)15-6-5-8-19(15)9-11-21-16-7-3-4-10-20-16/h12,15-16H,3-11H2,1-2H3/t15-,16-/m0/s1
InChIKeyMGMLZLFCJMIEQX-HOTGVXAUSA-N
MW293.41 g/mol
LogP2.41
Rot. Bonds5

About 1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole

1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole (PubChem CID 124862282) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole.

Molecular Properties

Compound Name1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole
PubChem CID124862282
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole
SMILESCc1c([C@@H]2CCCN2CCO[C@H]2CCCCO2)cnn1C
InChIInChI=1S/C16H27N3O2/c1-13-14(12-17-18(13)2)15-6-5-8-19(15)9-11-21-16-7-3-4-10-20-16/h12,15-16H,3-11H2,1-2H3/t15-,16-/m0/s1
InChIKeyMGMLZLFCJMIEQX-HOTGVXAUSA-N
XLogP2.41
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-4-[(2S)-1-[2-[(2R)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole
CID 100668330
[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-2-yl]methanol
CID 62013774
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
CID 99799549
2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine
CID 79584518
1,5-dimethyl-4-[1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]pyrazole
CID 84593793
5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 86687194
[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]methanol
CID 79595799
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane
CID 86200856
2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol
CID 141190740
4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129379720
2-methyl-N-[[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 66191878

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole?
The IUPAC name of 1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole (CID 124862282) is 1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole.
What is the SMILES notation for 1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole?
The canonical SMILES for 1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole is Cc1c([C@@H]2CCCN2CCO[C@H]2CCCCO2)cnn1C.
What is the InChIKey of 1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole?
The InChIKey is MGMLZLFCJMIEQX-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13-14(12-17-18(13)2)15-6-5-8-19(15)9-11-21-16-7-3-4-10-20-16/h12,15-16H,3-11H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of 1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole?
1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole has a molecular weight of 293.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[(2S)-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-2-yl]pyrazole is sourced from PubChem (CID 124862282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).