5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine

C12H19N5O — CID 106369875

IUPAC5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCc2nc(C)c(C)o2)c1N
InChIInChI=1S/C12H19N5O/c1-5-9-11(13)12(17(4)16-9)14-6-10-15-7(2)8(3)18-10/h14H,5-6,13H2,1-4H3
InChIKeyQHPRTSWXXHXDJL-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.78
Rot. Bonds4

About 5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine

5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine (PubChem CID 106369875) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine
PubChem CID106369875
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCc2nc(C)c(C)o2)c1N
InChIInChI=1S/C12H19N5O/c1-5-9-11(13)12(17(4)16-9)14-6-10-15-7(2)8(3)18-10/h14H,5-6,13H2,1-4H3
InChIKeyQHPRTSWXXHXDJL-UHFFFAOYSA-N
XLogP1.78
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine (CID 106369875) is 5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(NCc2nc(C)c(C)o2)c1N.
What is the InChIKey of 5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
The InChIKey is QHPRTSWXXHXDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-9-11(13)12(17(4)16-9)14-6-10-15-7(2)8(3)18-10/h14H,5-6,13H2,1-4H3.
What are the key properties of 5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine?
5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine has a molecular weight of 249.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 106369875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).