1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride

C5H7ClF3N3 — CID 75480753

IUPAC1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Cn1cc(N)c(C(F)(F)F)n1
InChIInChI=1S/C5H6F3N3.ClH/c1-11-2-3(9)4(10-11)5(6,7)8;/h2H,9H2,1H3;1H
InChIKeyFQFXBDZFVVMWJK-UHFFFAOYSA-N
MW201.58 g/mol
LogP1.44
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride

1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride (PubChem CID 75480753) has the molecular formula C5H7ClF3N3 and a molecular weight of 201.58 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
PubChem CID75480753
Molecular FormulaC5H7ClF3N3
Molecular Weight201.58 g/mol
Exact Mass201.03
IUPAC Name1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Cn1cc(N)c(C(F)(F)F)n1
InChIInChI=1S/C5H6F3N3.ClH/c1-11-2-3(9)4(10-11)5(6,7)8;/h2H,9H2,1H3;1H
InChIKeyFQFXBDZFVVMWJK-UHFFFAOYSA-N
XLogP1.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.58
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride (CID 75480753) is 1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride is Cl.Cn1cc(N)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The InChIKey is FQFXBDZFVVMWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3.ClH/c1-11-2-3(9)4(10-11)5(6,7)8;/h2H,9H2,1H3;1H.
What are the key properties of 1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride has a molecular weight of 201.58 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 75480753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).