4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine

C16H25N5O — CID 110105073

IUPAC4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine
SMILESCCn1nc(C)c(CN2CCOC(c3ncc(C)[nH]3)C2)c1C
InChIInChI=1S/C16H25N5O/c1-5-21-13(4)14(12(3)19-21)9-20-6-7-22-15(10-20)16-17-8-11(2)18-16/h8,15H,5-7,9-10H2,1-4H3,(H,17,18)
InChIKeyBCPVOVXSYDPVOT-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.12
Rot. Bonds4

About 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine

4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine (PubChem CID 110105073) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine.

Molecular Properties

Compound Name4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine
PubChem CID110105073
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine
SMILESCCn1nc(C)c(CN2CCOC(c3ncc(C)[nH]3)C2)c1C
InChIInChI=1S/C16H25N5O/c1-5-21-13(4)14(12(3)19-21)9-20-6-7-22-15(10-20)16-17-8-11(2)18-16/h8,15H,5-7,9-10H2,1-4H3,(H,17,18)
InChIKeyBCPVOVXSYDPVOT-UHFFFAOYSA-N
XLogP2.12
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine?
The IUPAC name of 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine (CID 110105073) is 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine.
What is the SMILES notation for 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine?
The canonical SMILES for 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine is CCn1nc(C)c(CN2CCOC(c3ncc(C)[nH]3)C2)c1C.
What is the InChIKey of 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine?
The InChIKey is BCPVOVXSYDPVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-5-21-13(4)14(12(3)19-21)9-20-6-7-22-15(10-20)16-17-8-11(2)18-16/h8,15H,5-7,9-10H2,1-4H3,(H,17,18).
What are the key properties of 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine?
4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine has a molecular weight of 303.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine is sourced from PubChem (CID 110105073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).