[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone

C22H27N5O — CID 96571760

IUPAC[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1
InChIInChI=1S/C22H27N5O/c1-3-27-20(14-17(2)24-27)22(28)26-12-7-10-19(16-26)21-23-11-13-25(21)15-18-8-5-4-6-9-18/h4-6,8-9,11,13-14,19H,3,7,10,12,15-16H2,1-2H3/t19-/m1/s1
InChIKeyIVRGAKICKUQHQX-LJQANCHMSA-N
MW377.49 g/mol
LogP3.48
Rot. Bonds5

About [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone

[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone (PubChem CID 96571760) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
PubChem CID96571760
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C)cc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1
InChIInChI=1S/C22H27N5O/c1-3-27-20(14-17(2)24-27)22(28)26-12-7-10-19(16-26)21-23-11-13-25(21)15-18-8-5-4-6-9-18/h4-6,8-9,11,13-14,19H,3,7,10,12,15-16H2,1-2H3/t19-/m1/s1
InChIKeyIVRGAKICKUQHQX-LJQANCHMSA-N
XLogP3.48
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone with MolForge

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Related Compounds

[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 70750234
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 96578463
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 96577048
[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 70767461
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 96572365
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140
5-[(3R)-3-(1-benzylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 96579681
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 72894495
[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 97278374
(6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72923628
3-[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579021
3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579022

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The IUPAC name of [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone (CID 96571760) is [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone is CCn1nc(C)cc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1.
What is the InChIKey of [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The InChIKey is IVRGAKICKUQHQX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27N5O/c1-3-27-20(14-17(2)24-27)22(28)26-12-7-10-19(16-26)21-23-11-13-25(21)15-18-8-5-4-6-9-18/h4-6,8-9,11,13-14,19H,3,7,10,12,15-16H2,1-2H3/t19-/m1/s1.
What are the key properties of [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone?
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone has a molecular weight of 377.49 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 96571760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).