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

C15H16ClF3N4 — CID 167425664

IUPAC2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-(4-fluorocyclohexyl)pyridin-4-amine
SMILESFC1CCC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C15H16ClF3N4/c16-14-7-13(21-10-3-1-9(17)2-4-10)11(8-20-14)12-5-6-23(22-12)15(18)19/h5-10,15H,1-4H2,(H,20,21)
InChIKeyPOLODBUYFNUVOT-UHFFFAOYSA-N
MW344.77 g/mol
LogP4.69
Rot. Bonds4

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

2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-(4-fluorocyclohexyl)pyridin-4-amine (PubChem CID 167425664) has the molecular formula C15H16ClF3N4 and a molecular weight of 344.77 g/mol. Its IUPAC name is 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-(4-fluorocyclohexyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-(4-fluorocyclohexyl)pyridin-4-amine
PubChem CID167425664
Molecular FormulaC15H16ClF3N4
Molecular Weight344.77 g/mol
Exact Mass344.10
IUPAC Name2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-(4-fluorocyclohexyl)pyridin-4-amine
SMILESFC1CCC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1
InChIInChI=1S/C15H16ClF3N4/c16-14-7-13(21-10-3-1-9(17)2-4-10)11(8-20-14)12-5-6-23(22-12)15(18)19/h5-10,15H,1-4H2,(H,20,21)
InChIKeyPOLODBUYFNUVOT-UHFFFAOYSA-N
XLogP4.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-(4-fluorocyclohexyl)pyridin-4-amine?
The IUPAC name of 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-(4-fluorocyclohexyl)pyridin-4-amine (CID 167425664) is 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-(4-fluorocyclohexyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-(4-fluorocyclohexyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-(4-fluorocyclohexyl)pyridin-4-amine is FC1CCC(Nc2cc(Cl)ncc2-c2ccn(C(F)F)n2)CC1.
What is the InChIKey of 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-(4-fluorocyclohexyl)pyridin-4-amine?
The InChIKey is POLODBUYFNUVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N4/c16-14-7-13(21-10-3-1-9(17)2-4-10)11(8-20-14)12-5-6-23(22-12)15(18)19/h5-10,15H,1-4H2,(H,20,21).
What are the key properties of 2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-(4-fluorocyclohexyl)pyridin-4-amine?
2-chloro-5-[1-(difluoromethyl)pyrazol-3-yl]-N-(4-fluorocyclohexyl)pyridin-4-amine has a molecular weight of 344.77 g/mol, XLogP of 4.69, 4 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-(4-fluorocyclohexyl)pyridin-4-amine is sourced from PubChem (CID 167425664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).