5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine

C11H8Cl2F3N3 — CID 18929405

IUPAC5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine
SMILESCn1nc(N)cc1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H8Cl2F3N3/c1-19-8(4-9(17)18-19)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,1H3,(H2,17,18)
InChIKeyZRSXFGJLDXKRDC-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.99
Rot. Bonds1

About 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine

5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine (PubChem CID 18929405) has the molecular formula C11H8Cl2F3N3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine
PubChem CID18929405
Molecular FormulaC11H8Cl2F3N3
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine
SMILESCn1nc(N)cc1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H8Cl2F3N3/c1-19-8(4-9(17)18-19)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,1H3,(H2,17,18)
InChIKeyZRSXFGJLDXKRDC-UHFFFAOYSA-N
XLogP3.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methyl-3-methylsulfanylpyrazole
CID 18929398
2-(5-amino-1-methylpyrazol-4-yl)-3-chloro-5-(trifluoromethyl)phenol
CID 117471111
4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117441268
3-tert-butyl-5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 132967297
1-[2-chloro-4-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 102942871
[2,6-dichloro-4-(trifluoromethyl)phenyl]-trimethylsilane
CID 11514753
4-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117490919
5-fluoro-1-methylpyrazol-3-amine
CID 130658396
2-chloro-4,6-bis(trifluoromethyl)aniline
CID 21396780
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1,2,4-triazole
CID 163359401
3-chloro-5-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methylpyrazole
CID 70791395
[4-(trifluoromethyl)phenyl] 3-amino-1-methylpyrazole-5-carboxylate
CID 117218388

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine?
The IUPAC name of 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine (CID 18929405) is 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine?
The canonical SMILES for 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine is Cn1nc(N)cc1-c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine?
The InChIKey is ZRSXFGJLDXKRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3/c1-19-8(4-9(17)18-19)10-6(12)2-5(3-7(10)13)11(14,15)16/h2-4H,1H3,(H2,17,18).
What are the key properties of 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine?
5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine has a molecular weight of 310.11 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 18929405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).