5-ethyl-4-methyl-N-(4-phenylbutyl)pyrazolidine-3-carboxamide

C17H27N3O — CID 134127945

IUPAC5-ethyl-4-methyl-N-(4-phenylbutyl)pyrazolidine-3-carboxamide
SMILESCCC1NNC(C(=O)NCCCCc2ccccc2)C1C
InChIInChI=1S/C17H27N3O/c1-3-15-13(2)16(20-19-15)17(21)18-12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,13,15-16,19-20H,3,7-8,11-12H2,1-2H3,(H,18,21)
InChIKeySSYYQAKGWFRWON-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.02
Rot. Bonds7

About 5-ethyl-4-methyl-N-(4-phenylbutyl)pyrazolidine-3-carboxamide

5-ethyl-4-methyl-N-(4-phenylbutyl)pyrazolidine-3-carboxamide (PubChem CID 134127945) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-(4-phenylbutyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-(4-phenylbutyl)pyrazolidine-3-carboxamide
PubChem CID134127945
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-ethyl-4-methyl-N-(4-phenylbutyl)pyrazolidine-3-carboxamide
SMILESCCC1NNC(C(=O)NCCCCc2ccccc2)C1C
InChIInChI=1S/C17H27N3O/c1-3-15-13(2)16(20-19-15)17(21)18-12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,13,15-16,19-20H,3,7-8,11-12H2,1-2H3,(H,18,21)
InChIKeySSYYQAKGWFRWON-UHFFFAOYSA-N
XLogP2.02
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
cis-(1R,2S)-2-(4-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7034638
8-phenyloctylcarbamic acid
CID 90271205
1-(4-phenylbutyl)-3-propylthiourea
CID 19650176
N-(4-phenylbutyl)hexanamide
CID 4985988
2-amino-2-methyl-N-(5-phenylpentyl)propanamide
CID 119317062
N-(4-phenylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole-5-carboxamide
CID 73393405
2-amino-2-methyl-N-(5-phenylpentyl)propanamide;hydrochloride
CID 119317061
(1R,6S)-6-(4-phenylbutylcarbamoyl)cyclohex-3-ene-1-carboxylate
CID 2167062
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(4-phenylbutyl)hexanediamide
CID 3286947
(3S,5S)-5-(4-phenylbutylcarbamoyl)pyrrolidine-3-sulfonic acid
CID 162205045

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-(4-phenylbutyl)pyrazolidine-3-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-(4-phenylbutyl)pyrazolidine-3-carboxamide (CID 134127945) is 5-ethyl-4-methyl-N-(4-phenylbutyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-(4-phenylbutyl)pyrazolidine-3-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-(4-phenylbutyl)pyrazolidine-3-carboxamide is CCC1NNC(C(=O)NCCCCc2ccccc2)C1C.
What is the InChIKey of 5-ethyl-4-methyl-N-(4-phenylbutyl)pyrazolidine-3-carboxamide?
The InChIKey is SSYYQAKGWFRWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-15-13(2)16(20-19-15)17(21)18-12-8-7-11-14-9-5-4-6-10-14/h4-6,9-10,13,15-16,19-20H,3,7-8,11-12H2,1-2H3,(H,18,21).
What are the key properties of 5-ethyl-4-methyl-N-(4-phenylbutyl)pyrazolidine-3-carboxamide?
5-ethyl-4-methyl-N-(4-phenylbutyl)pyrazolidine-3-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-(4-phenylbutyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 134127945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).