2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole

C15H23N5O — CID 97470257

IUPAC2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole
SMILESCO[C@@H]1CCN(Cc2nccn2C)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C15H23N5O/c1-18-7-5-16-15(18)11-20-6-4-14(21-3)13(20)8-12-9-17-19(2)10-12/h5,7,9-10,13-14H,4,6,8,11H2,1-3H3/t13-,14+/m0/s1
InChIKeyBSXFQOGIHCVWPS-UONOGXRCSA-N
MW289.38 g/mol
LogP0.99
Rot. Bonds5

About 2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole

2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole (PubChem CID 97470257) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole
PubChem CID97470257
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole
SMILESCO[C@@H]1CCN(Cc2nccn2C)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C15H23N5O/c1-18-7-5-16-15(18)11-20-6-4-14(21-3)13(20)8-12-9-17-19(2)10-12/h5,7,9-10,13-14H,4,6,8,11H2,1-3H3/t13-,14+/m0/s1
InChIKeyBSXFQOGIHCVWPS-UONOGXRCSA-N
XLogP0.99
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 97470261
4-[[(2S,3R)-3-methoxy-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]-1-methylpyrazole
CID 97470268
4-[[(2S,3S)-3-methoxy-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]-1-methylpyrazole
CID 97470672
5-fluoro-2-[(2R,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 124815893
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]oxan-3-amine
CID 128968523
2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole;2,2,2-trifluoroacetic acid
CID 155826688
2-[[(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole;2,2,2-trifluoroacetic acid
CID 155831212
(2S,3S)-1-[(1-methylimidazol-2-yl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol;2,2,2-trifluoroacetic acid
CID 155831576
2-[[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole;2,2,2-trifluoroacetic acid
CID 155832857
2-[[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole;2,2,2-trifluoroacetic acid
CID 155844855
2-[(2S,3R)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 97470287
1-Ethyl-2-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazole
CID 53601280

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole?
The IUPAC name of 2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole (CID 97470257) is 2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole.
What is the SMILES notation for 2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole?
The canonical SMILES for 2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole is CO[C@@H]1CCN(Cc2nccn2C)[C@H]1Cc1cnn(C)c1.
What is the InChIKey of 2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole?
The InChIKey is BSXFQOGIHCVWPS-UONOGXRCSA-N. The full InChI is InChI=1S/C15H23N5O/c1-18-7-5-16-15(18)11-20-6-4-14(21-3)13(20)8-12-9-17-19(2)10-12/h5,7,9-10,13-14H,4,6,8,11H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of 2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole?
2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole has a molecular weight of 289.38 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-1-methylimidazole is sourced from PubChem (CID 97470257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).