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

C6H9ClF3N3 — CID 102565639

IUPAC1-ethyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCCn1cc(N)c(C(F)(F)F)n1.Cl
InChIInChI=1S/C6H8F3N3.ClH/c1-2-12-3-4(10)5(11-12)6(7,8)9;/h3H,2,10H2,1H3;1H
InChIKeyVHKQBQYUIJFBDO-UHFFFAOYSA-N
MW215.61 g/mol
LogP1.93
Rot. Bonds1

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

1-ethyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride (PubChem CID 102565639) has the molecular formula C6H9ClF3N3 and a molecular weight of 215.61 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
PubChem CID102565639
Molecular FormulaC6H9ClF3N3
Molecular Weight215.61 g/mol
Exact Mass215.04
IUPAC Name1-ethyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCCn1cc(N)c(C(F)(F)F)n1.Cl
InChIInChI=1S/C6H8F3N3.ClH/c1-2-12-3-4(10)5(11-12)6(7,8)9;/h3H,2,10H2,1H3;1H
InChIKeyVHKQBQYUIJFBDO-UHFFFAOYSA-N
XLogP1.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.61
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-ethyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride (CID 102565639) is 1-ethyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-ethyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-ethyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride is CCn1cc(N)c(C(F)(F)F)n1.Cl.
What is the InChIKey of 1-ethyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
The InChIKey is VHKQBQYUIJFBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3.ClH/c1-2-12-3-4(10)5(11-12)6(7,8)9;/h3H,2,10H2,1H3;1H.
What are the key properties of 1-ethyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride?
1-ethyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride has a molecular weight of 215.61 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 102565639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).