1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone

C20H25N3O — CID 95761963

IUPAC1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
SMILESO=C(C[C@H]1CCCc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C20H25N3O/c24-20(13-16-7-3-6-15-5-1-2-9-18(15)16)23-12-4-8-17(14-23)19-10-11-21-22-19/h1-2,5,9-11,16-17H,3-4,6-8,12-14H2,(H,21,22)/t16-,17+/m1/s1
InChIKeyUKGLRILMPORELL-SJORKVTESA-N
MW323.44 g/mol
LogP3.63
Rot. Bonds3

About 1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone

1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone (PubChem CID 95761963) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
PubChem CID95761963
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
SMILESO=C(C[C@H]1CCCc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C20H25N3O/c24-20(13-16-7-3-6-15-5-1-2-9-18(15)16)23-12-4-8-17(14-23)19-10-11-21-22-19/h1-2,5,9-11,16-17H,3-4,6-8,12-14H2,(H,21,22)/t16-,17+/m1/s1
InChIKeyUKGLRILMPORELL-SJORKVTESA-N
XLogP3.63
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95768730
(3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 119174002
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 84588598
2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 129426223
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 119411829
1-phenyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butane-1,4-dione
CID 97080910
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid
CID 124702036
1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95760420
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 95769931
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 129402938

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone (CID 95761963) is 1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone is O=C(C[C@H]1CCCc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1.
What is the InChIKey of 1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone?
The InChIKey is UKGLRILMPORELL-SJORKVTESA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(13-16-7-3-6-15-5-1-2-9-18(15)16)23-12-4-8-17(14-23)19-10-11-21-22-19/h1-2,5,9-11,16-17H,3-4,6-8,12-14H2,(H,21,22)/t16-,17+/m1/s1.
What are the key properties of 1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone?
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone has a molecular weight of 323.44 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone is sourced from PubChem (CID 95761963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).