1,4-dimethylpyrazole;ethane;molecular hydrogen;morpholine

C11H25N3O — CID 171656456

IUPAC1,4-dimethylpyrazole;ethane;molecular hydrogen;morpholine
SMILESC1COCCN1.CC.Cc1cnn(C)c1.[H][H]
InChIInChI=1S/C5H8N2.C4H9NO.C2H6.H2/c1-5-3-6-7(2)4-5;1-3-6-4-2-5-1;1-2;/h3-4H,1-2H3;5H,1-4H2;1-2H3;1H
InChIKeyGZZQUBDLPJRVQN-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.61
Rot. Bonds

About 1,4-dimethylpyrazole;ethane;molecular hydrogen;morpholine

1,4-dimethylpyrazole;ethane;molecular hydrogen;morpholine (PubChem CID 171656456) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 1,4-dimethylpyrazole;ethane;molecular hydrogen;morpholine.

Molecular Properties

Compound Name1,4-dimethylpyrazole;ethane;molecular hydrogen;morpholine
PubChem CID171656456
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1,4-dimethylpyrazole;ethane;molecular hydrogen;morpholine
SMILESC1COCCN1.CC.Cc1cnn(C)c1.[H][H]
InChIInChI=1S/C5H8N2.C4H9NO.C2H6.H2/c1-5-3-6-7(2)4-5;1-3-6-4-2-5-1;1-2;/h3-4H,1-2H3;5H,1-4H2;1-2H3;1H
InChIKeyGZZQUBDLPJRVQN-UHFFFAOYSA-N
XLogP1.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyrazole;ethane;molecular hydrogen;morpholine?
The IUPAC name of 1,4-dimethylpyrazole;ethane;molecular hydrogen;morpholine (CID 171656456) is 1,4-dimethylpyrazole;ethane;molecular hydrogen;morpholine.
What is the SMILES notation for 1,4-dimethylpyrazole;ethane;molecular hydrogen;morpholine?
The canonical SMILES for 1,4-dimethylpyrazole;ethane;molecular hydrogen;morpholine is C1COCCN1.CC.Cc1cnn(C)c1.[H][H].
What is the InChIKey of 1,4-dimethylpyrazole;ethane;molecular hydrogen;morpholine?
The InChIKey is GZZQUBDLPJRVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C4H9NO.C2H6.H2/c1-5-3-6-7(2)4-5;1-3-6-4-2-5-1;1-2;/h3-4H,1-2H3;5H,1-4H2;1-2H3;1H.
What are the key properties of 1,4-dimethylpyrazole;ethane;molecular hydrogen;morpholine?
1,4-dimethylpyrazole;ethane;molecular hydrogen;morpholine has a molecular weight of 215.34 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpyrazole;ethane;molecular hydrogen;morpholine is sourced from PubChem (CID 171656456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).