[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone

C21H22N4O2 — CID 95868392

IUPAC[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3ccccn3)[nH]n2)cc1
InChIInChI=1S/C21H22N4O2/c1-27-16-10-8-15(9-11-16)18-14-19(24-23-18)21(26)25-13-5-3-7-20(25)17-6-2-4-12-22-17/h2,4,6,8-12,14,20H,3,5,7,13H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyXGKIMGMNXXMMES-FQEVSTJZSA-N
MW362.43 g/mol
LogP3.85
Rot. Bonds4

About [3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone

[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone (PubChem CID 95868392) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
PubChem CID95868392
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3ccccn3)[nH]n2)cc1
InChIInChI=1S/C21H22N4O2/c1-27-16-10-8-15(9-11-16)18-14-19(24-23-18)21(26)25-13-5-3-7-20(25)17-6-2-4-12-22-17/h2,4,6,8-12,14,20H,3,5,7,13H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyXGKIMGMNXXMMES-FQEVSTJZSA-N
XLogP3.85
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-pyridin-2-ylpiperidin-1-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 99971779
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 74244859
[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 97112593
[2-(furan-2-yl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 70713236
[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 95851475
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 70715141
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 20953309
6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95871248
[3-[(3-methoxyphenyl)methyl]-1,2-oxazol-5-yl]-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 125161463
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 20864968
[2-(3-fluorophenyl)azepan-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70733375
[4-(cyclopentylmethyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 70780803

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone?
The IUPAC name of [3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone (CID 95868392) is [3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for [3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3ccccn3)[nH]n2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone?
The InChIKey is XGKIMGMNXXMMES-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-16-10-8-15(9-11-16)18-14-19(24-23-18)21(26)25-13-5-3-7-20(25)17-6-2-4-12-22-17/h2,4,6,8-12,14,20H,3,5,7,13H2,1H3,(H,23,24)/t20-/m0/s1.
What are the key properties of [3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone?
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95868392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).