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

C12H19N5O — CID 114182304

IUPAC1-ethyl-3-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NC(C)c1ncc(C)o1
InChIInChI=1S/C12H19N5O/c1-5-17-11(10(13)8(3)16-17)15-9(4)12-14-6-7(2)18-12/h6,9,15H,5,13H2,1-4H3
InChIKeyJGHPFYWRSVYPBM-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.26
Rot. Bonds4

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

1-ethyl-3-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine (PubChem CID 114182304) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine
PubChem CID114182304
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-ethyl-3-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NC(C)c1ncc(C)o1
InChIInChI=1S/C12H19N5O/c1-5-17-11(10(13)8(3)16-17)15-9(4)12-14-6-7(2)18-12/h6,9,15H,5,13H2,1-4H3
InChIKeyJGHPFYWRSVYPBM-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine (CID 114182304) is 1-ethyl-3-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine is CCn1nc(C)c(N)c1NC(C)c1ncc(C)o1.
What is the InChIKey of 1-ethyl-3-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine?
The InChIKey is JGHPFYWRSVYPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-5-17-11(10(13)8(3)16-17)15-9(4)12-14-6-7(2)18-12/h6,9,15H,5,13H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine has a molecular weight of 249.32 g/mol, XLogP of 2.26, 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-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrazole-4,5-diamine is sourced from PubChem (CID 114182304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).