3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine

C10H8ClF3N4 — CID 134317602

IUPAC3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine
SMILESNc1ncc(-c2ccn(CC(F)(F)F)n2)cc1Cl
InChIInChI=1S/C10H8ClF3N4/c11-7-3-6(4-16-9(7)15)8-1-2-18(17-8)5-10(12,13)14/h1-4H,5H2,(H2,15,16)
InChIKeyHZIVRHPBMPKPEH-UHFFFAOYSA-N
MW276.65 g/mol
LogP2.74
Rot. Bonds2

About 3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine

3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine (PubChem CID 134317602) has the molecular formula C10H8ClF3N4 and a molecular weight of 276.65 g/mol. Its IUPAC name is 3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine
PubChem CID134317602
Molecular FormulaC10H8ClF3N4
Molecular Weight276.65 g/mol
Exact Mass276.04
IUPAC Name3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine
SMILESNc1ncc(-c2ccn(CC(F)(F)F)n2)cc1Cl
InChIInChI=1S/C10H8ClF3N4/c11-7-3-6(4-16-9(7)15)8-1-2-18(17-8)5-10(12,13)14/h1-4H,5H2,(H2,15,16)
InChIKeyHZIVRHPBMPKPEH-UHFFFAOYSA-N
XLogP2.74
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine (CID 134317602) is 3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine is Nc1ncc(-c2ccn(CC(F)(F)F)n2)cc1Cl.
What is the InChIKey of 3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine?
The InChIKey is HZIVRHPBMPKPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4/c11-7-3-6(4-16-9(7)15)8-1-2-18(17-8)5-10(12,13)14/h1-4H,5H2,(H2,15,16).
What are the key properties of 3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine?
3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine has a molecular weight of 276.65 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 134317602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).