[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone

C18H32N4O2 — CID 97203880

IUPAC[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
SMILESCCOCCn1nc(C)cc1C(=O)N1CCN(C(C)C)[C@H](CC)C1
InChIInChI=1S/C18H32N4O2/c1-6-16-13-20(8-9-21(16)14(3)4)18(23)17-12-15(5)19-22(17)10-11-24-7-2/h12,14,16H,6-11,13H2,1-5H3/t16-/m1/s1
InChIKeyDMOQSQJKPCKMHS-MRXNPFEDSA-N
MW336.48 g/mol
LogP2.17
Rot. Bonds7

About [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone

[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone (PubChem CID 97203880) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
PubChem CID97203880
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
SMILESCCOCCn1nc(C)cc1C(=O)N1CCN(C(C)C)[C@H](CC)C1
InChIInChI=1S/C18H32N4O2/c1-6-16-13-20(8-9-21(16)14(3)4)18(23)17-12-15(5)19-22(17)10-11-24-7-2/h12,14,16H,6-11,13H2,1-5H3/t16-/m1/s1
InChIKeyDMOQSQJKPCKMHS-MRXNPFEDSA-N
XLogP2.17
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-{[1-(tert-butyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}-4-piperidinecarboxylate
CID 2813428
Pyrazole-3,5-dicarboxamide, N,N,N',N',1-pentamethyl-
CID 3035271
1-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 53501404
3-[1-(3-Tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 3251603
3-[1-(2-Tert-butyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 3527678
4-(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 25854652
3-Cyclohexyl-1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 47064401
N-butyl-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-2-methylpiperidine-2-carboxamide
CID 49795438
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-tert-butyl-5-methylpyrazole-3-carboxamide
CID 51083917
1-tert-butyl-5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-3-carboxamide
CID 53501395
2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-1-morpholin-4-ylethanone
CID 56781773
[3-(Azepan-1-yl)piperidin-1-yl]-(1-tert-butyl-5-methylpyrazol-3-yl)methanone
CID 56783509

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The IUPAC name of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone (CID 97203880) is [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone.
What is the SMILES notation for [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The canonical SMILES for [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone is CCOCCn1nc(C)cc1C(=O)N1CCN(C(C)C)[C@H](CC)C1.
What is the InChIKey of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
The InChIKey is DMOQSQJKPCKMHS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-6-16-13-20(8-9-21(16)14(3)4)18(23)17-12-15(5)19-22(17)10-11-24-7-2/h12,14,16H,6-11,13H2,1-5H3/t16-/m1/s1.
What are the key properties of [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone?
[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone has a molecular weight of 336.48 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone is sourced from PubChem (CID 97203880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).