[(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone

C18H29N5O3 — CID 95726530

IUPAC[(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCOCCn1nc(C)cc1C(=O)N1CCNC[C@@H]1C(=O)N1CCCC1
InChIInChI=1S/C18H29N5O3/c1-3-26-11-10-23-15(12-14(2)20-23)18(25)22-9-6-19-13-16(22)17(24)21-7-4-5-8-21/h12,16,19H,3-11,13H2,1-2H3/t16-/m1/s1
InChIKeyMXOKEFZVKRIOCD-MRXNPFEDSA-N
MW363.46 g/mol
LogP0.26
Rot. Bonds6

About [(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone

[(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 95726530) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is [(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID95726530
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name[(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCCOCCn1nc(C)cc1C(=O)N1CCNC[C@@H]1C(=O)N1CCCC1
InChIInChI=1S/C18H29N5O3/c1-3-26-11-10-23-15(12-14(2)20-23)18(25)22-9-6-19-13-16(22)17(24)21-7-4-5-8-21/h12,16,19H,3-11,13H2,1-2H3/t16-/m1/s1
InChIKeyMXOKEFZVKRIOCD-MRXNPFEDSA-N
XLogP0.26
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-ethyl-5-methylpyrazol-3-yl)-(2-methylpiperazin-1-yl)methanone
CID 66120880
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]methanone
CID 72911785
N-methyl-2-[5-methyl-3-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]pyrazol-1-yl]acetamide
CID 95723230
4-(3,5-dimethylpyrazol-1-yl)-1-[2-(morpholine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 56887679
9-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56882347
[2-(2-ethoxyethyl)-5-methylpyrazol-3-yl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 97203880
[1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56891026
ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 78991936
7-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70730830
[1-(2,6-difluoro-3-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56898451
[(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone
CID 95720314
[(2R)-1-[5-[(dimethylamino)methyl]furan-2-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95715274

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone (CID 95726530) is [(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone is CCOCCn1nc(C)cc1C(=O)N1CCNC[C@@H]1C(=O)N1CCCC1.
What is the InChIKey of [(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MXOKEFZVKRIOCD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-3-26-11-10-23-15(12-14(2)20-23)18(25)22-9-6-19-13-16(22)17(24)21-7-4-5-8-21/h12,16,19H,3-11,13H2,1-2H3/t16-/m1/s1.
What are the key properties of [(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
[(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 363.46 g/mol, XLogP of 0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(2-ethoxyethyl)-5-methylpyrazole-3-carbonyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95726530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).