1-(2,3-dichlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine;hydrochloride

C11H9Cl3F3N3 — CID 174716243

IUPAC1-(2,3-dichlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine;hydrochloride
SMILESCNc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C11H8Cl2F3N3.ClH/c1-17-9-5-8(11(14,15)16)18-19(9)7-4-2-3-6(12)10(7)13;/h2-5,17H,1H3;1H
InChIKeyDLPRKFYXJZXKOP-UHFFFAOYSA-N
MW346.57 g/mol
LogP4.66
Rot. Bonds2

About 1-(2,3-dichlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine;hydrochloride

1-(2,3-dichlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine;hydrochloride (PubChem CID 174716243) has the molecular formula C11H9Cl3F3N3 and a molecular weight of 346.57 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine;hydrochloride
PubChem CID174716243
Molecular FormulaC11H9Cl3F3N3
Molecular Weight346.57 g/mol
Exact Mass344.98
IUPAC Name1-(2,3-dichlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine;hydrochloride
SMILESCNc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C11H8Cl2F3N3.ClH/c1-17-9-5-8(11(14,15)16)18-19(9)7-4-2-3-6(12)10(7)13;/h2-5,17H,1H3;1H
InChIKeyDLPRKFYXJZXKOP-UHFFFAOYSA-N
XLogP4.66
TPSA29.85 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 ≤ 54.66
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)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine;hydrochloride?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine;hydrochloride (CID 174716243) is 1-(2,3-dichlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine;hydrochloride.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine;hydrochloride?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine;hydrochloride is CNc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1Cl.Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine;hydrochloride?
The InChIKey is DLPRKFYXJZXKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3.ClH/c1-17-9-5-8(11(14,15)16)18-19(9)7-4-2-3-6(12)10(7)13;/h2-5,17H,1H3;1H.
What are the key properties of 1-(2,3-dichlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine;hydrochloride?
1-(2,3-dichlorophenyl)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine;hydrochloride has a molecular weight of 346.57 g/mol, XLogP of 4.66, 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)-N-methyl-3-(trifluoromethyl)pyrazol-5-amine;hydrochloride is sourced from PubChem (CID 174716243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).