(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone

C20H28N4O — CID 92589714

IUPAC(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCN(C)C[C@@H]1c1ccccc1
InChIInChI=1S/C20H28N4O/c1-5-24-18(13-17(21-24)15(2)3)20(25)23-12-11-22(4)14-19(23)16-9-7-6-8-10-16/h6-10,13,15,19H,5,11-12,14H2,1-4H3/t19-/m1/s1
InChIKeyWNHOJXPYYRYACU-LJQANCHMSA-N
MW340.47 g/mol
LogP3.16
Rot. Bonds4

About (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone

(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone (PubChem CID 92589714) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
PubChem CID92589714
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCN(C)C[C@@H]1c1ccccc1
InChIInChI=1S/C20H28N4O/c1-5-24-18(13-17(21-24)15(2)3)20(25)23-12-11-22(4)14-19(23)16-9-7-6-8-10-16/h6-10,13,15,19H,5,11-12,14H2,1-4H3/t19-/m1/s1
InChIKeyWNHOJXPYYRYACU-LJQANCHMSA-N
XLogP3.16
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 120750144
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922034
(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398
2-bromo-1-(4-methyl-2-phenylpiperazin-1-yl)butan-1-one
CID 62856286
(3,4-dihydroxypyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 106671806
1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775084
(2S,4S)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713321
(2S)-4-methyl-N-[5-methyl-2-(3-methylbutyl)pyrazol-3-yl]-2-phenylpiperazine-1-carboxamide
CID 118769189
(5-ethyl-4-methylthiophen-2-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46483058
N-[(3S,4R)-3-benzyl-1-methylpiperidin-4-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70706388

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone (CID 92589714) is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The canonical SMILES for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone is CCn1nc(C(C)C)cc1C(=O)N1CCN(C)C[C@@H]1c1ccccc1.
What is the InChIKey of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The InChIKey is WNHOJXPYYRYACU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-24-18(13-17(21-24)15(2)3)20(25)23-12-11-22(4)14-19(23)16-9-7-6-8-10-16/h6-10,13,15,19H,5,11-12,14H2,1-4H3/t19-/m1/s1.
What are the key properties of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 92589714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).