1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine

C12H19N5O — CID 106583189

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1-c1cn(C)nc1C
InChIInChI=1S/C12H19N5O/c1-9(8-18-4)14-12-13-5-6-17(12)11-7-16(3)15-10(11)2/h5-7,9H,8H2,1-4H3,(H,13,14)
InChIKeyQJIBGKVQTCUDTJ-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.36
Rot. Bonds5

About 1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine

1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine (PubChem CID 106583189) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
PubChem CID106583189
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)Nc1nccn1-c1cn(C)nc1C
InChIInChI=1S/C12H19N5O/c1-9(8-18-4)14-12-13-5-6-17(12)11-7-16(3)15-10(11)2/h5-7,9H,8H2,1-4H3,(H,13,14)
InChIKeyQJIBGKVQTCUDTJ-UHFFFAOYSA-N
XLogP1.36
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-propan-2-ylimidazol-2-amine
CID 106583195
1-(2-ethylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106559461
1-(3-fluoro-2-methylphenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106564034
1-[1-(2-methoxyethyl)pyrazol-4-yl]-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106567619
1-(4-bromo-2,5-difluorophenyl)-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 107608624
N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
N-(1-methoxypropan-2-yl)-1-(3-methylbutyl)imidazol-2-amine
CID 106557283
N-(1-methoxypropan-2-yl)-1-(3-methylsulfanylbutyl)imidazol-2-amine
CID 106581674
N-(1-methoxypropan-2-yl)-1-[2-(2-methylpropoxy)ethyl]imidazol-2-amine
CID 106582356
N-(1-methoxypropan-2-yl)-1-naphthalen-2-ylimidazol-2-amine
CID 106565449
N-(1-methoxypropan-2-yl)-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572044
1-cyclohexyl-N-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106554635

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine (CID 106583189) is 1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine is COCC(C)Nc1nccn1-c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine?
The InChIKey is QJIBGKVQTCUDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9(8-18-4)14-12-13-5-6-17(12)11-7-16(3)15-10(11)2/h5-7,9H,8H2,1-4H3,(H,13,14).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine?
1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine has a molecular weight of 249.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-(1-methoxypropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106583189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).