[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

C20H28N4O — CID 51872024

IUPAC[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN([C@@H](C)c3ccc(C)cc3)CC2)n[nH]1
InChIInChI=1S/C20H28N4O/c1-4-5-18-14-19(22-21-18)20(25)24-12-10-23(11-13-24)16(3)17-8-6-15(2)7-9-17/h6-9,14,16H,4-5,10-13H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyPFXIOPMLBVZWAN-INIZCTEOSA-N
MW340.47 g/mol
LogP3.19
Rot. Bonds5

About [4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone

[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (PubChem CID 51872024) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is [4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
PubChem CID51872024
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCN([C@@H](C)c3ccc(C)cc3)CC2)n[nH]1
InChIInChI=1S/C20H28N4O/c1-4-5-18-14-19(22-21-18)20(25)24-12-10-23(11-13-24)16(3)17-8-6-15(2)7-9-17/h6-9,14,16H,4-5,10-13H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyPFXIOPMLBVZWAN-INIZCTEOSA-N
XLogP3.19
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone
CID 155201573
[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 46964948
4-[[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 56811280
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 78861980
[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 51872023
[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 24673001
N-(3-methoxypropyl)-2-[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]acetamide
CID 55641991
(5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 70780966
[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 97124144
[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70737317
(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
CID 70784145

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone (CID 51872024) is [4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCN([C@@H](C)c3ccc(C)cc3)CC2)n[nH]1.
What is the InChIKey of [4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
The InChIKey is PFXIOPMLBVZWAN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-5-18-14-19(22-21-18)20(25)24-12-10-23(11-13-24)16(3)17-8-6-15(2)7-9-17/h6-9,14,16H,4-5,10-13H2,1-3H3,(H,21,22)/t16-/m0/s1.
What are the key properties of [4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone?
[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone has a molecular weight of 340.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 51872024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).