1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide

C10H11F3N6 — CID 55241554

IUPAC1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N6/c1-5-7(8(14)15)9(18(2)16-5)19-4-3-6(17-19)10(11,12)13/h3-4H,1-2H3,(H3,14,15)
InChIKeyMBUZESYEUFOFNO-UHFFFAOYSA-N
MW272.23 g/mol
LogP1.22
Rot. Bonds2

About 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide

1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide (PubChem CID 55241554) has the molecular formula C10H11F3N6 and a molecular weight of 272.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide.

Molecular Properties

Compound Name1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide
PubChem CID55241554
Molecular FormulaC10H11F3N6
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Name1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N6/c1-5-7(8(14)15)9(18(2)16-5)19-4-3-6(17-19)10(11,12)13/h3-4H,1-2H3,(H3,14,15)
InChIKeyMBUZESYEUFOFNO-UHFFFAOYSA-N
XLogP1.22
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
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 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide?
The IUPAC name of 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide (CID 55241554) is 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide.
What is the SMILES notation for 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide?
The canonical SMILES for 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1-n1ccc(C(F)(F)F)n1.
What is the InChIKey of 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide?
The InChIKey is MBUZESYEUFOFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6/c1-5-7(8(14)15)9(18(2)16-5)19-4-3-6(17-19)10(11,12)13/h3-4H,1-2H3,(H3,14,15).
What are the key properties of 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide?
1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide has a molecular weight of 272.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide is sourced from PubChem (CID 55241554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).