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

C11H17N5O — CID 70591794

IUPAC1-[4-amino-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-yl]ethanone
SMILESCCc1cc(C2=NC(N)CN2C(C)=O)n(C)n1
InChIInChI=1S/C11H17N5O/c1-4-8-5-9(15(3)14-8)11-13-10(12)6-16(11)7(2)17/h5,10H,4,6,12H2,1-3H3
InChIKeyCXYXTVRBLSVQPJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.12
Rot. Bonds2

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

1-[4-amino-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-yl]ethanone (PubChem CID 70591794) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[4-amino-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-amino-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-yl]ethanone
PubChem CID70591794
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[4-amino-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-yl]ethanone
SMILESCCc1cc(C2=NC(N)CN2C(C)=O)n(C)n1
InChIInChI=1S/C11H17N5O/c1-4-8-5-9(15(3)14-8)11-13-10(12)6-16(11)7(2)17/h5,10H,4,6,12H2,1-3H3
InChIKeyCXYXTVRBLSVQPJ-UHFFFAOYSA-N
XLogP-0.12
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl]-N-methyl-N-[(3-methyl-1-propyl-1H-pyrazol-5-yl)methyl]acetamide
CID 91910897
N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 74242621
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-fluoroacetamide
CID 67477588
5-fluoro-2-[5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrimidin-6-one
CID 145046939
2-(Diethylamino)-1-[3-ethyl-5-(dimethylamino-methyl)-1h-pyrazol-1-yl]ethanone
CID 129756081
2-[[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111500723
2-[[[3-(3,5-dimethylpyrazol-1-yl)propylamino]-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111500731
4-fluoro-N-[[2-[(2-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroimidazo[1,2-b]pyridazin-7-yl]methyl]pentanamide
CID 157031288
2-(2,5-dimethylpyrazol-3-yl)-4-methyl-4-propan-2-yl-1H-imidazol-5-one
CID 14751163
3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium
CID 18726605
N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide
CID 19294429
N-[(2,5-dimethylpyrazol-3-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-yl]ethanone?
The IUPAC name of 1-[4-amino-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-yl]ethanone (CID 70591794) is 1-[4-amino-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-amino-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-yl]ethanone?
The canonical SMILES for 1-[4-amino-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-yl]ethanone is CCc1cc(C2=NC(N)CN2C(C)=O)n(C)n1.
What is the InChIKey of 1-[4-amino-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-yl]ethanone?
The InChIKey is CXYXTVRBLSVQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-8-5-9(15(3)14-8)11-13-10(12)6-16(11)7(2)17/h5,10H,4,6,12H2,1-3H3.
What are the key properties of 1-[4-amino-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-yl]ethanone?
1-[4-amino-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-yl]ethanone has a molecular weight of 235.29 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(3-ethyl-1-methylpyrazol-5-yl)-4,5-dihydroimidazol-1-yl]ethanone is sourced from PubChem (CID 70591794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).