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

C11H9Cl3F3N3 — CID 86672141

IUPAC[1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H8Cl2F3N3.ClH/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;1H
InChIKeyOLASMKJTWYMLCM-UHFFFAOYSA-N
MW346.57 g/mol
LogP4.08
Rot. Bonds2

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

[1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride (PubChem CID 86672141) has the molecular formula C11H9Cl3F3N3 and a molecular weight of 346.57 g/mol. Its IUPAC name is [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride
PubChem CID86672141
Molecular FormulaC11H9Cl3F3N3
Molecular Weight346.57 g/mol
Exact Mass344.98
IUPAC Name[1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H8Cl2F3N3.ClH/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;1H
InChIKeyOLASMKJTWYMLCM-UHFFFAOYSA-N
XLogP4.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.57
LogP ≤ 54.08
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;hydrochloride?
The IUPAC name of [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride (CID 86672141) is [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride is Cl.NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1Cl.
What is the InChIKey of [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride?
The InChIKey is OLASMKJTWYMLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3.ClH/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;1H.
What are the key properties of [1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride?
[1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine;hydrochloride has a molecular weight of 346.57 g/mol, XLogP of 4.08, 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;hydrochloride is sourced from PubChem (CID 86672141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).