5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide

C10H16F3N5O — CID 107480230

IUPAC5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(CCO)CC(F)(F)F
InChIInChI=1S/C10H16F3N5O/c1-6-7(8(14)15)9(17(2)16-6)18(3-4-19)5-10(11,12)13/h19H,3-5H2,1-2H3,(H3,14,15)
InChIKeyUOZLVWAGJCMRDY-UHFFFAOYSA-N
MW279.27 g/mol
LogP0.37
Rot. Bonds5

About 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide

5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 107480230) has the molecular formula C10H16F3N5O and a molecular weight of 279.27 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID107480230
Molecular FormulaC10H16F3N5O
Molecular Weight279.27 g/mol
Exact Mass279.13
IUPAC Name5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(CCO)CC(F)(F)F
InChIInChI=1S/C10H16F3N5O/c1-6-7(8(14)15)9(17(2)16-6)18(3-4-19)5-10(11,12)13/h19H,3-5H2,1-2H3,(H3,14,15)
InChIKeyUOZLVWAGJCMRDY-UHFFFAOYSA-N
XLogP0.37
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide (CID 107480230) is 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N(CCO)CC(F)(F)F.
What is the InChIKey of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is UOZLVWAGJCMRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O/c1-6-7(8(14)15)9(17(2)16-6)18(3-4-19)5-10(11,12)13/h19H,3-5H2,1-2H3,(H3,14,15).
What are the key properties of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 279.27 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 107480230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).