1-[4-amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone

C9H13N5O — CID 70595465

IUPAC1-[4-amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone
SMILESCC(=O)N1CC(N)N=C1c1ccnn1C
InChIInChI=1S/C9H13N5O/c1-6(15)14-5-8(10)12-9(14)7-3-4-11-13(7)2/h3-4,8H,5,10H2,1-2H3
InChIKeyZZWCYGFDEBFYLC-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.69
Rot. Bonds1

About 1-[4-amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone

1-[4-amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 70595465) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 1-[4-amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID70595465
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name1-[4-amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone
SMILESCC(=O)N1CC(N)N=C1c1ccnn1C
InChIInChI=1S/C9H13N5O/c1-6(15)14-5-8(10)12-9(14)7-3-4-11-13(7)2/h3-4,8H,5,10H2,1-2H3
InChIKeyZZWCYGFDEBFYLC-UHFFFAOYSA-N
XLogP-0.69
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 1-[4-amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone (CID 70595465) is 1-[4-amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 1-[4-amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone is CC(=O)N1CC(N)N=C1c1ccnn1C.
What is the InChIKey of 1-[4-amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is ZZWCYGFDEBFYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-6(15)14-5-8(10)12-9(14)7-3-4-11-13(7)2/h3-4,8H,5,10H2,1-2H3.
What are the key properties of 1-[4-amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone?
1-[4-amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 207.24 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 70595465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).