1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone

C19H21N5O — CID 95346883

IUPAC1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
SMILESO=C(Cc1ccc(-n2cccn2)cc1)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C19H21N5O/c25-19(22-10-1-3-18(14-22)23-12-9-20-15-23)13-16-4-6-17(7-5-16)24-11-2-8-21-24/h2,4-9,11-12,15,18H,1,3,10,13-14H2/t18-/m1/s1
InChIKeyAFXHJJVGCYTOGH-GOSISDBHSA-N
MW335.41 g/mol
LogP2.47
Rot. Bonds4

About 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone

1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone (PubChem CID 95346883) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
PubChem CID95346883
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
SMILESO=C(Cc1ccc(-n2cccn2)cc1)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C19H21N5O/c25-19(22-10-1-3-18(14-22)23-12-9-20-15-23)13-16-4-6-17(7-5-16)24-11-2-8-21-24/h2,4-9,11-12,15,18H,1,3,10,13-14H2/t18-/m1/s1
InChIKeyAFXHJJVGCYTOGH-GOSISDBHSA-N
XLogP2.47
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313849
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 95317069
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one
CID 95313767
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone
CID 95341515
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-pyrazol-1-ylphenyl)ethanone
CID 78875687
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 124589903
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 95314197
2-imidazo[1,2-a]pyridin-2-yl-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313099
2-[4-[2-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetonitrile
CID 95313073
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 95313838
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]methanone
CID 95346001
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 95313726

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone?
The IUPAC name of 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone (CID 95346883) is 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone.
What is the SMILES notation for 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone?
The canonical SMILES for 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone is O=C(Cc1ccc(-n2cccn2)cc1)N1CCC[C@@H](n2ccnc2)C1.
What is the InChIKey of 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone?
The InChIKey is AFXHJJVGCYTOGH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19(22-10-1-3-18(14-22)23-12-9-20-15-23)13-16-4-6-17(7-5-16)24-11-2-8-21-24/h2,4-9,11-12,15,18H,1,3,10,13-14H2/t18-/m1/s1.
What are the key properties of 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone?
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone has a molecular weight of 335.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone is sourced from PubChem (CID 95346883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).