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

C11H16F3N5 — CID 55243879

IUPAC5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H16F3N5/c1-6-8(9(15)16)10(18(2)17-6)19(7-3-4-7)5-11(12,13)14/h7H,3-5H2,1-2H3,(H3,15,16)
InChIKeyZLBQKUYJPHTVPY-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.54
Rot. Bonds4

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

5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 55243879) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID55243879
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H16F3N5/c1-6-8(9(15)16)10(18(2)17-6)19(7-3-4-7)5-11(12,13)14/h7H,3-5H2,1-2H3,(H3,15,16)
InChIKeyZLBQKUYJPHTVPY-UHFFFAOYSA-N
XLogP1.54
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide (CID 55243879) is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is ZLBQKUYJPHTVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5/c1-6-8(9(15)16)10(18(2)17-6)19(7-3-4-7)5-11(12,13)14/h7H,3-5H2,1-2H3,(H3,15,16).
What are the key properties of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide?
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 275.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 55243879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).