3-tert-butyl-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide

C13H22N4O2 — CID 2811170

IUPAC3-tert-butyl-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)NN1CCOCC1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)11-9-10(16(4)14-11)12(18)15-17-5-7-19-8-6-17/h9H,5-8H2,1-4H3,(H,15,18)
InChIKeyKEVSLJLVHRFVOG-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.69
Rot. Bonds2

About 3-tert-butyl-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide

3-tert-butyl-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide (PubChem CID 2811170) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide
PubChem CID2811170
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-tert-butyl-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)NN1CCOCC1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)11-9-10(16(4)14-11)12(18)15-17-5-7-19-8-6-17/h9H,5-8H2,1-4H3,(H,15,18)
InChIKeyKEVSLJLVHRFVOG-UHFFFAOYSA-N
XLogP0.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide (CID 2811170) is 3-tert-butyl-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide is Cn1nc(C(C)(C)C)cc1C(=O)NN1CCOCC1.
What is the InChIKey of 3-tert-butyl-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide?
The InChIKey is KEVSLJLVHRFVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)11-9-10(16(4)14-11)12(18)15-17-5-7-19-8-6-17/h9H,5-8H2,1-4H3,(H,15,18).
What are the key properties of 3-tert-butyl-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide?
3-tert-butyl-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide is sourced from PubChem (CID 2811170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).