1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride

C5H7ClF3N3 — CID 44630918

IUPAC1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C5H6F3N3.ClH/c6-5(7,8)3-11-2-4(9)1-10-11;/h1-2H,3,9H2;1H
InChIKeyCCPZEKZRKUAUGD-UHFFFAOYSA-N
MW201.58 g/mol
LogP1.45
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride

1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride (PubChem CID 44630918) has the molecular formula C5H7ClF3N3 and a molecular weight of 201.58 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride
PubChem CID44630918
Molecular FormulaC5H7ClF3N3
Molecular Weight201.58 g/mol
Exact Mass201.03
IUPAC Name1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(CC(F)(F)F)c1
InChIInChI=1S/C5H6F3N3.ClH/c6-5(7,8)3-11-2-4(9)1-10-11;/h1-2H,3,9H2;1H
InChIKeyCCPZEKZRKUAUGD-UHFFFAOYSA-N
XLogP1.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.58
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride (CID 44630918) is 1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride is Cl.Nc1cnn(CC(F)(F)F)c1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride?
The InChIKey is CCPZEKZRKUAUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3.ClH/c6-5(7,8)3-11-2-4(9)1-10-11;/h1-2H,3,9H2;1H.
What are the key properties of 1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride?
1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride has a molecular weight of 201.58 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 44630918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).