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

C12H19N5O — CID 106369784

IUPAC3-methyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCc1ncc(C)o1
InChIInChI=1S/C12H19N5O/c1-4-5-17-12(11(13)9(3)16-17)15-7-10-14-6-8(2)18-10/h6,15H,4-5,7,13H2,1-3H3
InChIKeyNXRGQVGUVVDESF-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.09
Rot. Bonds5

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

3-methyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4,5-diamine (PubChem CID 106369784) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-methyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4,5-diamine
PubChem CID106369784
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-methyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCc1ncc(C)o1
InChIInChI=1S/C12H19N5O/c1-4-5-17-12(11(13)9(3)16-17)15-7-10-14-6-8(2)18-10/h6,15H,4-5,7,13H2,1-3H3
InChIKeyNXRGQVGUVVDESF-UHFFFAOYSA-N
XLogP2.09
TPSA81.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4,5-diamine?
The IUPAC name of 3-methyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4,5-diamine (CID 106369784) is 3-methyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1NCc1ncc(C)o1.
What is the InChIKey of 3-methyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4,5-diamine?
The InChIKey is NXRGQVGUVVDESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-5-17-12(11(13)9(3)16-17)15-7-10-14-6-8(2)18-10/h6,15H,4-5,7,13H2,1-3H3.
What are the key properties of 3-methyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4,5-diamine?
3-methyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4,5-diamine has a molecular weight of 249.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 106369784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).