(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone

C21H29N3O — CID 97285272

IUPAC(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC[C@@](C)(c2ccccc2)C1
InChIInChI=1S/C21H29N3O/c1-5-24-19(14-18(22-24)16(2)3)20(25)23-13-9-12-21(4,15-23)17-10-7-6-8-11-17/h6-8,10-11,14,16H,5,9,12-13,15H2,1-4H3/t21-/m1/s1
InChIKeyXVNHCZWKLBFSDE-OAQYLSRUSA-N
MW339.48 g/mol
LogP4.22
Rot. Bonds4

About (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone

(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone (PubChem CID 97285272) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
PubChem CID97285272
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC[C@@](C)(c2ccccc2)C1
InChIInChI=1S/C21H29N3O/c1-5-24-19(14-18(22-24)16(2)3)20(25)23-13-9-12-21(4,15-23)17-10-7-6-8-11-17/h6-8,10-11,14,16H,5,9,12-13,15H2,1-4H3/t21-/m1/s1
InChIKeyXVNHCZWKLBFSDE-OAQYLSRUSA-N
XLogP4.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone with MolForge

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Related Compounds

(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875316
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 70734009
2-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 119059917
(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97125905
1-ethyl-4-(3-methyl-3-phenylpiperidine-1-carbonyl)pyridin-2-one
CID 72931976
(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 124614411
[4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 139010155
5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 72920662
[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 95721521
(3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 125164514
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone
CID 162636784
(3,4-dihydroxypyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 106671806

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone?
The IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone (CID 97285272) is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone?
The canonical SMILES for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone is CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@](C)(c2ccccc2)C1.
What is the InChIKey of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone?
The InChIKey is XVNHCZWKLBFSDE-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H29N3O/c1-5-24-19(14-18(22-24)16(2)3)20(25)23-13-9-12-21(4,15-23)17-10-7-6-8-11-17/h6-8,10-11,14,16H,5,9,12-13,15H2,1-4H3/t21-/m1/s1.
What are the key properties of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone?
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone has a molecular weight of 339.48 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone is sourced from PubChem (CID 97285272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).