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

C11H17N5O — CID 66013825

IUPAC1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCc1cc(C)on1
InChIInChI=1S/C11H17N5O/c1-4-16-11(10(12)8(3)14-16)13-6-9-5-7(2)17-15-9/h5,13H,4,6,12H2,1-3H3
InChIKeyZJDGLONNADCIIB-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.70
Rot. Bonds4

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

1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine (PubChem CID 66013825) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine
PubChem CID66013825
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCc1cc(C)on1
InChIInChI=1S/C11H17N5O/c1-4-16-11(10(12)8(3)14-16)13-6-9-5-7(2)17-15-9/h5,13H,4,6,12H2,1-3H3
InChIKeyZJDGLONNADCIIB-UHFFFAOYSA-N
XLogP1.70
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine (CID 66013825) is 1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCc1cc(C)on1.
What is the InChIKey of 1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine?
The InChIKey is ZJDGLONNADCIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-16-11(10(12)8(3)14-16)13-6-9-5-7(2)17-15-9/h5,13H,4,6,12H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine has a molecular weight of 235.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine is sourced from PubChem (CID 66013825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).