[1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone

C21H24N4O — CID 95287919

IUPAC[1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1cccn1CCc1ccccc1)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C21H24N4O/c26-21(24-14-4-9-19(17-24)25-15-6-12-22-25)20-10-5-13-23(20)16-11-18-7-2-1-3-8-18/h1-3,5-8,10,12-13,15,19H,4,9,11,14,16-17H2/t19-/m1/s1
InChIKeyAHYQKUDKAPALCH-LJQANCHMSA-N
MW348.45 g/mol
LogP3.40
Rot. Bonds5

About [1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone

[1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95287919) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
PubChem CID95287919
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1cccn1CCc1ccccc1)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C21H24N4O/c26-21(24-14-4-9-19(17-24)25-15-6-12-22-25)20-10-5-13-23(20)16-11-18-7-2-1-3-8-18/h1-3,5-8,10,12-13,15,19H,4,9,11,14,16-17H2/t19-/m1/s1
InChIKeyAHYQKUDKAPALCH-LJQANCHMSA-N
XLogP3.40
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone with MolForge

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Related Compounds

(1-benzylpyrrol-2-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158674
[1-(3-iodophenyl)pyrrol-2-yl]-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 86881866
(4-phenyl-1,4-diazepan-1-yl)-[1-(2-phenylethyl)pyrrol-2-yl]methanone
CID 86876351
[(3S)-3-methylpiperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone
CID 124591383
[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95282730
1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95383189
[4-(pyrazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95277241
(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate
CID 110472446
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone
CID 95285064
1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95283135
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
CID 95383030

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of [1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone (CID 95287919) is [1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for [1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone is O=C(c1cccn1CCc1ccccc1)N1CCC[C@@H](n2cccn2)C1.
What is the InChIKey of [1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is AHYQKUDKAPALCH-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N4O/c26-21(24-14-4-9-19(17-24)25-15-6-12-22-25)20-10-5-13-23(20)16-11-18-7-2-1-3-8-18/h1-3,5-8,10,12-13,15,19H,4,9,11,14,16-17H2/t19-/m1/s1.
What are the key properties of [1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
[1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylethyl)pyrrol-2-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95287919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).