[1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine

C11H8Cl2F3N3 — CID 70847696

IUPAC[1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine
SMILESNCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H8Cl2F3N3/c12-7-2-1-3-8(10(7)13)19-6(5-17)4-9(18-19)11(14,15)16/h1-4H,5,17H2
InChIKeyBCDIJFLPKDRJEA-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.66
Rot. Bonds2

About [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine

[1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine (PubChem CID 70847696) has the molecular formula C11H8Cl2F3N3 and a molecular weight of 310.11 g/mol. Its IUPAC name is [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine
PubChem CID70847696
Molecular FormulaC11H8Cl2F3N3
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name[1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine
SMILESNCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H8Cl2F3N3/c12-7-2-1-3-8(10(7)13)19-6(5-17)4-9(18-19)11(14,15)16/h1-4H,5,17H2
InChIKeyBCDIJFLPKDRJEA-UHFFFAOYSA-N
XLogP3.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine?
The IUPAC name of [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine (CID 70847696) is [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine.
What is the SMILES notation for [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine?
The canonical SMILES for [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine is NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1Cl.
What is the InChIKey of [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine?
The InChIKey is BCDIJFLPKDRJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3/c12-7-2-1-3-8(10(7)13)19-6(5-17)4-9(18-19)11(14,15)16/h1-4H,5,17H2.
What are the key properties of [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine?
[1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine has a molecular weight of 310.11 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine is sourced from PubChem (CID 70847696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).