N-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide

C18H30N4O2 — CID 51361550

IUPACN-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCC(=O)N1c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C18H30N4O2/c1-7-8-11-19-16(24)18(5)10-9-15(23)22(18)14-12-13(17(2,3)4)20-21(14)6/h12H,7-11H2,1-6H3,(H,19,24)
InChIKeyTXIVKWCLPZTNMJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.52
Rot. Bonds5

About N-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide

N-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 51361550) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID51361550
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCC(=O)N1c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C18H30N4O2/c1-7-8-11-19-16(24)18(5)10-9-15(23)22(18)14-12-13(17(2,3)4)20-21(14)6/h12H,7-11H2,1-6H3,(H,19,24)
InChIKeyTXIVKWCLPZTNMJ-UHFFFAOYSA-N
XLogP2.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 51361550) is N-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide is CCCCNC(=O)C1(C)CCC(=O)N1c1cc(C(C)(C)C)nn1C.
What is the InChIKey of N-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is TXIVKWCLPZTNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-7-8-11-19-16(24)18(5)10-9-15(23)22(18)14-12-13(17(2,3)4)20-21(14)6/h12H,7-11H2,1-6H3,(H,19,24).
What are the key properties of N-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 51361550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).