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

C19H30N4O2 — CID 51361546

IUPAC1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCn1nc(C(C)(C)C)cc1N1C(=O)CCC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C19H30N4O2/c1-18(2,3)14-12-15(22(5)21-14)23-16(24)10-11-19(23,4)17(25)20-13-8-6-7-9-13/h12-13H,6-11H2,1-5H3,(H,20,25)
InChIKeyLDDOQTOXUACZSY-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.66
Rot. Bonds3

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

1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 51361546) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID51361546
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCn1nc(C(C)(C)C)cc1N1C(=O)CCC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C19H30N4O2/c1-18(2,3)14-12-15(22(5)21-14)23-16(24)10-11-19(23,4)17(25)20-13-8-6-7-9-13/h12-13H,6-11H2,1-5H3,(H,20,25)
InChIKeyLDDOQTOXUACZSY-UHFFFAOYSA-N
XLogP2.66
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 51361546) is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide is Cn1nc(C(C)(C)C)cc1N1C(=O)CCC1(C)C(=O)NC1CCCC1.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LDDOQTOXUACZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-18(2,3)14-12-15(22(5)21-14)23-16(24)10-11-19(23,4)17(25)20-13-8-6-7-9-13/h12-13H,6-11H2,1-5H3,(H,20,25).
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 51361546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).