4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

C5H5ClF3N3 — CID 19619545

IUPAC4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESNc1nn(CC(F)(F)F)cc1Cl
InChIInChI=1S/C5H5ClF3N3/c6-3-1-12(11-4(3)10)2-5(7,8)9/h1H,2H2,(H2,10,11)
InChIKeyFEGWHDOWQAVIAF-UHFFFAOYSA-N
MW199.56 g/mol
LogP1.68
Rot. Bonds1

About 4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 19619545) has the molecular formula C5H5ClF3N3 and a molecular weight of 199.56 g/mol. Its IUPAC name is 4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID19619545
Molecular FormulaC5H5ClF3N3
Molecular Weight199.56 g/mol
Exact Mass199.01
IUPAC Name4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESNc1nn(CC(F)(F)F)cc1Cl
InChIInChI=1S/C5H5ClF3N3/c6-3-1-12(11-4(3)10)2-5(7,8)9/h1H,2H2,(H2,10,11)
InChIKeyFEGWHDOWQAVIAF-UHFFFAOYSA-N
XLogP1.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.56
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 19619545) is 4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is Nc1nn(CC(F)(F)F)cc1Cl.
What is the InChIKey of 4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is FEGWHDOWQAVIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF3N3/c6-3-1-12(11-4(3)10)2-5(7,8)9/h1H,2H2,(H2,10,11).
What are the key properties of 4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 199.56 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 19619545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).