5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole

C19H23N5O — CID 154870278

IUPAC5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole
SMILESCOC1CC(c2ncc[nH]2)N(Cc2cc(-c3ccccc3)nn2C)C1
InChIInChI=1S/C19H23N5O/c1-23-15(10-17(22-23)14-6-4-3-5-7-14)12-24-13-16(25-2)11-18(24)19-20-8-9-21-19/h3-10,16,18H,11-13H2,1-2H3,(H,20,21)
InChIKeyOEYBREZMLIWQOZ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.77
Rot. Bonds5

About 5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole

5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole (PubChem CID 154870278) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole.

Molecular Properties

Compound Name5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole
PubChem CID154870278
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole
SMILESCOC1CC(c2ncc[nH]2)N(Cc2cc(-c3ccccc3)nn2C)C1
InChIInChI=1S/C19H23N5O/c1-23-15(10-17(22-23)14-6-4-3-5-7-14)12-24-13-16(25-2)11-18(24)19-20-8-9-21-19/h3-10,16,18H,11-13H2,1-2H3,(H,20,21)
InChIKeyOEYBREZMLIWQOZ-UHFFFAOYSA-N
XLogP2.77
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 154765192
6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline
CID 167921637
5-chloro-2-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]benzonitrile
CID 154765197
2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole
CID 154765204
3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
CID 167827199
2-fluoro-6-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]benzonitrile
CID 167933607
5-[[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole
CID 128979892
(1-tert-butyl-1,2,4-triazol-3-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 154762137
3-[2-[(2S,4R)-4-methoxy-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridine
CID 154761735
methyl (2R,4S)-4-methoxy-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 99612817
ethane;(1-methyl-3-phenylpyrazol-5-yl)methanol
CID 168921661
(3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 154765171

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole?
The IUPAC name of 5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole (CID 154870278) is 5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole.
What is the SMILES notation for 5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole?
The canonical SMILES for 5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole is COC1CC(c2ncc[nH]2)N(Cc2cc(-c3ccccc3)nn2C)C1.
What is the InChIKey of 5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole?
The InChIKey is OEYBREZMLIWQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-23-15(10-17(22-23)14-6-4-3-5-7-14)12-24-13-16(25-2)11-18(24)19-20-8-9-21-19/h3-10,16,18H,11-13H2,1-2H3,(H,20,21).
What are the key properties of 5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole?
5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole has a molecular weight of 337.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole is sourced from PubChem (CID 154870278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).