N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine

C11H20N4O — CID 83020855

IUPACN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine
SMILESCCn1nc(C)cc1CNN1CCOCC1
InChIInChI=1S/C11H20N4O/c1-3-15-11(8-10(2)13-15)9-12-14-4-6-16-7-5-14/h8,12H,3-7,9H2,1-2H3
InChIKeyNMHXBZQMDGCNOM-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.55
Rot. Bonds4

About N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine

N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine (PubChem CID 83020855) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine
PubChem CID83020855
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine
SMILESCCn1nc(C)cc1CNN1CCOCC1
InChIInChI=1S/C11H20N4O/c1-3-15-11(8-10(2)13-15)9-12-14-4-6-16-7-5-14/h8,12H,3-7,9H2,1-2H3
InChIKeyNMHXBZQMDGCNOM-UHFFFAOYSA-N
XLogP0.55
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine?
The IUPAC name of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine (CID 83020855) is N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine.
What is the SMILES notation for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine?
The canonical SMILES for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine is CCn1nc(C)cc1CNN1CCOCC1.
What is the InChIKey of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine?
The InChIKey is NMHXBZQMDGCNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-15-11(8-10(2)13-15)9-12-14-4-6-16-7-5-14/h8,12H,3-7,9H2,1-2H3.
What are the key properties of N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine?
N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine has a molecular weight of 224.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methylpyrazol-3-yl)methyl]morpholin-4-amine is sourced from PubChem (CID 83020855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).