4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole

C16H28N4O — CID 97470685

IUPAC4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole
SMILESCO[C@H]1CCN(CCN2CCCC2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C16H28N4O/c1-18-13-14(12-17-18)11-15-16(21-2)5-8-20(15)10-9-19-6-3-4-7-19/h12-13,15-16H,3-11H2,1-2H3/t15-,16-/m0/s1
InChIKeyKCGDAQYTWPXXGV-HOTGVXAUSA-N
MW292.43 g/mol
LogP1.15
Rot. Bonds6

About 4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole

4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole (PubChem CID 97470685) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole
PubChem CID97470685
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole
SMILESCO[C@H]1CCN(CCN2CCCC2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C16H28N4O/c1-18-13-14(12-17-18)11-15-16(21-2)5-8-20(15)10-9-19-6-3-4-7-19/h12-13,15-16H,3-11H2,1-2H3/t15-,16-/m0/s1
InChIKeyKCGDAQYTWPXXGV-HOTGVXAUSA-N
XLogP1.15
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole with MolForge

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Related Compounds

3-[[(2R,3R)-3-methoxy-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridine
CID 124817739
5-fluoro-2-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 124815893
(3,3-difluorocyclobutyl)-[(2S,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 131689990
[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 124820367
[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 97470266
4-[[(2R,3R)-1-[(4-fluorophenyl)methyl]-3-(2-methoxyethoxy)pyrrolidin-2-yl]methyl]-1-methylpyrazole
CID 124821987
[(2S,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 97470668
4-[[(2S,3R)-3-(2-methoxyethoxy)-1-(thiophen-3-ylmethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole
CID 97470279
2-[[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 97470708
[(2S,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 97470666
4-[[(2S,3S)-3-(2-methoxyethoxy)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole
CID 97384259
4-[[(2R,3R)-1-[(3-fluorophenyl)methyl]-3-(2-methoxyethoxy)pyrrolidin-2-yl]methyl]-1-methylpyrazole
CID 124817386

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole?
The IUPAC name of 4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole (CID 97470685) is 4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole?
The canonical SMILES for 4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole is CO[C@H]1CCN(CCN2CCCC2)[C@H]1Cc1cnn(C)c1.
What is the InChIKey of 4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole?
The InChIKey is KCGDAQYTWPXXGV-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H28N4O/c1-18-13-14(12-17-18)11-15-16(21-2)5-8-20(15)10-9-19-6-3-4-7-19/h12-13,15-16H,3-11H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of 4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole?
4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole has a molecular weight of 292.43 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,3S)-3-methoxy-1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]-1-methylpyrazole is sourced from PubChem (CID 97470685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).