N-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide

C15H24N4O3 — CID 42285679

IUPACN-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(=O)N2CCOCC2)nn1CC(=O)NC(C)(C)C
InChIInChI=1S/C15H24N4O3/c1-11-9-12(14(21)18-5-7-22-8-6-18)17-19(11)10-13(20)16-15(2,3)4/h9H,5-8,10H2,1-4H3,(H,16,20)
InChIKeyDZAAUYIMJDCNOE-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.58
Rot. Bonds3

About N-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide

N-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide (PubChem CID 42285679) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide
PubChem CID42285679
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(=O)N2CCOCC2)nn1CC(=O)NC(C)(C)C
InChIInChI=1S/C15H24N4O3/c1-11-9-12(14(21)18-5-7-22-8-6-18)17-19(11)10-13(20)16-15(2,3)4/h9H,5-8,10H2,1-4H3,(H,16,20)
InChIKeyDZAAUYIMJDCNOE-UHFFFAOYSA-N
XLogP0.58
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide (CID 42285679) is N-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide is Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide?
The InChIKey is DZAAUYIMJDCNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-11-9-12(14(21)18-5-7-22-8-6-18)17-19(11)10-13(20)16-15(2,3)4/h9H,5-8,10H2,1-4H3,(H,16,20).
What are the key properties of N-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide?
N-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 42285679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).