2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine

C11H17N5 — CID 107975911

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine
SMILESCc1cc(CC(N)c2cn(C)cn2)n(C)n1
InChIInChI=1S/C11H17N5/c1-8-4-9(16(3)14-8)5-10(12)11-6-15(2)7-13-11/h4,6-7,10H,5,12H2,1-3H3
InChIKeyDKWVWIYQPGOORZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.70
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine

2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine (PubChem CID 107975911) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine
PubChem CID107975911
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine
SMILESCc1cc(CC(N)c2cn(C)cn2)n(C)n1
InChIInChI=1S/C11H17N5/c1-8-4-9(16(3)14-8)5-10(12)11-6-15(2)7-13-11/h4,6-7,10H,5,12H2,1-3H3
InChIKeyDKWVWIYQPGOORZ-UHFFFAOYSA-N
XLogP0.70
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329517
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105158663
1-(2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 79522417
1-(5-bromofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996300
(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
CID 162341661
1-(2-bromo-3,4-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 107538733
1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79617156
(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide
CID 141403090
1-(1-methylimidazol-4-yl)nonan-1-amine
CID 107974313
2-(2,5-dimethylpyrazol-3-yl)-1-(4-ethylsulfanylphenyl)ethanamine
CID 106848714
2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 104996061
1-(2,6-dimethoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanamine
CID 104996048

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine (CID 107975911) is 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine is Cc1cc(CC(N)c2cn(C)cn2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine?
The InChIKey is DKWVWIYQPGOORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8-4-9(16(3)14-8)5-10(12)11-6-15(2)7-13-11/h4,6-7,10H,5,12H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine?
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanamine is sourced from PubChem (CID 107975911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).