5-(trifluoromethyl)-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarboximidamide

C14H15F3N4 — CID 61226958

IUPAC5-(trifluoromethyl)-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1-n1nc(C)c(C)c1C
InChIInChI=1S/C14H15F3N4/c1-7-8(2)20-21(9(7)3)12-5-4-10(14(15,16)17)6-11(12)13(18)19/h4-6H,1-3H3,(H3,18,19)
InChIKeyRVWFAEUQLKVXSE-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.10
Rot. Bonds2

About 5-(trifluoromethyl)-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarboximidamide

5-(trifluoromethyl)-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarboximidamide (PubChem CID 61226958) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarboximidamide
PubChem CID61226958
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name5-(trifluoromethyl)-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1-n1nc(C)c(C)c1C
InChIInChI=1S/C14H15F3N4/c1-7-8(2)20-21(9(7)3)12-5-4-10(14(15,16)17)6-11(12)13(18)19/h4-6H,1-3H3,(H3,18,19)
InChIKeyRVWFAEUQLKVXSE-UHFFFAOYSA-N
XLogP3.10
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43372984
2-(4,5-dimethylimidazol-1-yl)-5-fluorobenzenecarboximidamide
CID 63667646
2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 62201411
2-(3-ethylpiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43584579
6-(3,4,5-trimethylpyrazol-1-yl)pyridine-2-carboximidamide
CID 64595960
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide
CID 62309017
4-methoxy-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarbothioamide
CID 81303476
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorobenzenecarboximidamide
CID 55038602
2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 43153708
2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43265029
2-(1-methylimidazol-2-yl)sulfanyl-5-(trifluoromethyl)benzenecarboximidamide
CID 43153739
[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 62130850

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarboximidamide?
The IUPAC name of 5-(trifluoromethyl)-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarboximidamide (CID 61226958) is 5-(trifluoromethyl)-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarboximidamide.
What is the SMILES notation for 5-(trifluoromethyl)-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarboximidamide?
The canonical SMILES for 5-(trifluoromethyl)-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1cc(C(F)(F)F)ccc1-n1nc(C)c(C)c1C.
What is the InChIKey of 5-(trifluoromethyl)-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarboximidamide?
The InChIKey is RVWFAEUQLKVXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-7-8(2)20-21(9(7)3)12-5-4-10(14(15,16)17)6-11(12)13(18)19/h4-6H,1-3H3,(H3,18,19).
What are the key properties of 5-(trifluoromethyl)-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarboximidamide?
5-(trifluoromethyl)-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarboximidamide has a molecular weight of 296.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-(3,4,5-trimethylpyrazol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 61226958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).