1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide

C14H22N4O2 — CID 72916628

IUPAC1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCCCc2cnn(C)c2)CC1=O
InChIInChI=1S/C14H22N4O2/c1-3-18-10-12(7-13(18)19)14(20)15-6-4-5-11-8-16-17(2)9-11/h8-9,12H,3-7,10H2,1-2H3,(H,15,20)
InChIKeyOVOACZLRSZDRAT-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.34
Rot. Bonds6

About 1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide

1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 72916628) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID72916628
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCCCc2cnn(C)c2)CC1=O
InChIInChI=1S/C14H22N4O2/c1-3-18-10-12(7-13(18)19)14(20)15-6-4-5-11-8-16-17(2)9-11/h8-9,12H,3-7,10H2,1-2H3,(H,15,20)
InChIKeyOVOACZLRSZDRAT-UHFFFAOYSA-N
XLogP0.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 91779798
(3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 97112567
(3R)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97206513
(3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97206514
(3R)-1-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94088856
(3S)-N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 97282831
N-[3-(1-methylpyrazol-4-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72919300
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185311
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 119316160
N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 80682539

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 72916628) is 1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)NCCCc2cnn(C)c2)CC1=O.
What is the InChIKey of 1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OVOACZLRSZDRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-18-10-12(7-13(18)19)14(20)15-6-4-5-11-8-16-17(2)9-11/h8-9,12H,3-7,10H2,1-2H3,(H,15,20).
What are the key properties of 1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide?
1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 72916628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).