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

C10H16F3N5 — CID 63751036

IUPAC5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(CC)CC(F)(F)F
InChIInChI=1S/C10H16F3N5/c1-4-18(5-10(11,12)13)9-7(8(14)15)6(2)16-17(9)3/h4-5H2,1-3H3,(H3,14,15)
InChIKeySELXLSKWIZRLMC-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.40
Rot. Bonds4

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

5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 63751036) has the molecular formula C10H16F3N5 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID63751036
Molecular FormulaC10H16F3N5
Molecular Weight263.27 g/mol
Exact Mass263.14
IUPAC Name5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(CC)CC(F)(F)F
InChIInChI=1S/C10H16F3N5/c1-4-18(5-10(11,12)13)9-7(8(14)15)6(2)16-17(9)3/h4-5H2,1-3H3,(H3,14,15)
InChIKeySELXLSKWIZRLMC-UHFFFAOYSA-N
XLogP1.40
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054399
5-[2-hydroxyethyl(2-methoxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 113467795
5-[2-methoxyethyl(2-methylpropyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 55243489
5-[benzyl(2-hydroxyethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63752907
5-[(1-ethylpiperidin-4-yl)-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63751034
5-[(4-fluorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 63752380
5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 114949737
1,3-dimethyl-5-[methyl(2-methylsulfonylethyl)amino]pyrazole-4-carboximidamide
CID 79850274
5-(3-fluoro-N-methylanilino)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752734
1,3-dimethyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011252
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768980
5-[cyclopropyl(3-methylbutyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
CID 78950744

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide (CID 63751036) is 5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N(CC)CC(F)(F)F.
What is the InChIKey of 5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is SELXLSKWIZRLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5/c1-4-18(5-10(11,12)13)9-7(8(14)15)6(2)16-17(9)3/h4-5H2,1-3H3,(H3,14,15).
What are the key properties of 5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 263.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 63751036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).