1,3,5-trimethyl-N-morpholin-4-ylpyrazole-4-carboxamide

C11H18N4O2 — CID 4768762

IUPAC1,3,5-trimethyl-N-morpholin-4-ylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NN1CCOCC1
InChIInChI=1S/C11H18N4O2/c1-8-10(9(2)14(3)12-8)11(16)13-15-4-6-17-7-5-15/h4-7H2,1-3H3,(H,13,16)
InChIKeyWZDSLOIJNYUMFK-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.01
Rot. Bonds2

About 1,3,5-trimethyl-N-morpholin-4-ylpyrazole-4-carboxamide

1,3,5-trimethyl-N-morpholin-4-ylpyrazole-4-carboxamide (PubChem CID 4768762) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-morpholin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-morpholin-4-ylpyrazole-4-carboxamide
PubChem CID4768762
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1,3,5-trimethyl-N-morpholin-4-ylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NN1CCOCC1
InChIInChI=1S/C11H18N4O2/c1-8-10(9(2)14(3)12-8)11(16)13-15-4-6-17-7-5-15/h4-7H2,1-3H3,(H,13,16)
InChIKeyWZDSLOIJNYUMFK-UHFFFAOYSA-N
XLogP0.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-morpholin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-morpholin-4-ylpyrazole-4-carboxamide (CID 4768762) is 1,3,5-trimethyl-N-morpholin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-morpholin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-morpholin-4-ylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NN1CCOCC1.
What is the InChIKey of 1,3,5-trimethyl-N-morpholin-4-ylpyrazole-4-carboxamide?
The InChIKey is WZDSLOIJNYUMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-10(9(2)14(3)12-8)11(16)13-15-4-6-17-7-5-15/h4-7H2,1-3H3,(H,13,16).
What are the key properties of 1,3,5-trimethyl-N-morpholin-4-ylpyrazole-4-carboxamide?
1,3,5-trimethyl-N-morpholin-4-ylpyrazole-4-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-morpholin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 4768762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).