1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol

C11H14F3N5O — CID 2999018

IUPAC1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol
SMILESCc1nn(C)c(N)c1C(O)(c1nccn1C)C(F)(F)F
InChIInChI=1S/C11H14F3N5O/c1-6-7(8(15)19(3)17-6)10(20,11(12,13)14)9-16-4-5-18(9)2/h4-5,20H,15H2,1-3H3
InChIKeyOZGUODMCDGBHNM-UHFFFAOYSA-N
MW289.26 g/mol
LogP0.84
Rot. Bonds2

About 1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol

1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol (PubChem CID 2999018) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol
PubChem CID2999018
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC Name1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol
SMILESCc1nn(C)c(N)c1C(O)(c1nccn1C)C(F)(F)F
InChIInChI=1S/C11H14F3N5O/c1-6-7(8(15)19(3)17-6)10(20,11(12,13)14)9-16-4-5-18(9)2/h4-5,20H,15H2,1-3H3
InChIKeyOZGUODMCDGBHNM-UHFFFAOYSA-N
XLogP0.84
TPSA81.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of 1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol (CID 2999018) is 1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol is Cc1nn(C)c(N)c1C(O)(c1nccn1C)C(F)(F)F.
What is the InChIKey of 1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol?
The InChIKey is OZGUODMCDGBHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O/c1-6-7(8(15)19(3)17-6)10(20,11(12,13)14)9-16-4-5-18(9)2/h4-5,20H,15H2,1-3H3.
What are the key properties of 1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol?
1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol has a molecular weight of 289.26 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,3-dimethylpyrazol-4-yl)-2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 2999018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).