1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine

C12H18N4O — CID 114180368

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cc(CNCc2ncc(C)o2)n(C)n1
InChIInChI=1S/C12H18N4O/c1-4-10-5-11(16(3)15-10)7-13-8-12-14-6-9(2)17-12/h5-6,13H,4,7-8H2,1-3H3
InChIKeyIZSQMOKVHFFYSZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.57
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine

1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 114180368) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID114180368
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cc(CNCc2ncc(C)o2)n(C)n1
InChIInChI=1S/C12H18N4O/c1-4-10-5-11(16(3)15-10)7-13-8-12-14-6-9(2)17-12/h5-6,13H,4,7-8H2,1-3H3
InChIKeyIZSQMOKVHFFYSZ-UHFFFAOYSA-N
XLogP1.57
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (CID 114180368) is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is CCc1cc(CNCc2ncc(C)o2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is IZSQMOKVHFFYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-10-5-11(16(3)15-10)7-13-8-12-14-6-9(2)17-12/h5-6,13H,4,7-8H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 234.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 114180368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).