2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine

C13H14ClF3N4 — CID 167425655

IUPAC2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine
SMILESC[C@H](CCF)Nc1cc(Cl)ncc1-c1ccn(C(F)F)n1
InChIInChI=1S/C13H14ClF3N4/c1-8(2-4-15)19-11-6-12(14)18-7-9(11)10-3-5-21(20-10)13(16)17/h3,5-8,13H,2,4H2,1H3,(H,18,19)/t8-/m1/s1
InChIKeyHTYCGISCSXGKNA-MRVPVSSYSA-N
MW318.73 g/mol
LogP4.15
Rot. Bonds6

About 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine

2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine (PubChem CID 167425655) has the molecular formula C13H14ClF3N4 and a molecular weight of 318.73 g/mol. Its IUPAC name is 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine
PubChem CID167425655
Molecular FormulaC13H14ClF3N4
Molecular Weight318.73 g/mol
Exact Mass318.09
IUPAC Name2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine
SMILESC[C@H](CCF)Nc1cc(Cl)ncc1-c1ccn(C(F)F)n1
InChIInChI=1S/C13H14ClF3N4/c1-8(2-4-15)19-11-6-12(14)18-7-9(11)10-3-5-21(20-10)13(16)17/h3,5-8,13H,2,4H2,1H3,(H,18,19)/t8-/m1/s1
InChIKeyHTYCGISCSXGKNA-MRVPVSSYSA-N
XLogP4.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-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 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine?
The IUPAC name of 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine (CID 167425655) is 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine?
The canonical SMILES for 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine is C[C@H](CCF)Nc1cc(Cl)ncc1-c1ccn(C(F)F)n1.
What is the InChIKey of 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine?
The InChIKey is HTYCGISCSXGKNA-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14ClF3N4/c1-8(2-4-15)19-11-6-12(14)18-7-9(11)10-3-5-21(20-10)13(16)17/h3,5-8,13H,2,4H2,1H3,(H,18,19)/t8-/m1/s1.
What are the key properties of 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine?
2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine has a molecular weight of 318.73 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2R)-4-fluorobutan-2-yl]pyridin-4-amine is sourced from PubChem (CID 167425655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).