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

C20H32N4O2 — CID 51361542

IUPAC1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCn1nc(C(C)(C)C)cc1N1C(=O)CCC1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C20H32N4O2/c1-19(2,3)15-13-16(23(5)22-15)24-17(25)11-12-20(24,4)18(26)21-14-9-7-6-8-10-14/h13-14H,6-12H2,1-5H3,(H,21,26)
InChIKeyHRUGYAILEWTDMD-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.05
Rot. Bonds3

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

1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 51361542) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID51361542
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCn1nc(C(C)(C)C)cc1N1C(=O)CCC1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C20H32N4O2/c1-19(2,3)15-13-16(23(5)22-15)24-17(25)11-12-20(24,4)18(26)21-14-9-7-6-8-10-14/h13-14H,6-12H2,1-5H3,(H,21,26)
InChIKeyHRUGYAILEWTDMD-UHFFFAOYSA-N
XLogP3.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.05
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-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 51361542) is 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide is Cn1nc(C(C)(C)C)cc1N1C(=O)CCC1(C)C(=O)NC1CCCCC1.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is HRUGYAILEWTDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-19(2,3)15-13-16(23(5)22-15)24-17(25)11-12-20(24,4)18(26)21-14-9-7-6-8-10-14/h13-14H,6-12H2,1-5H3,(H,21,26).
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.05, 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-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 51361542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).