2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine

C11H10F4N4O — CID 133338800

IUPAC2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine
SMILESCOCCn1cc(Nc2c(F)c(F)nc(F)c2F)cn1
InChIInChI=1S/C11H10F4N4O/c1-20-3-2-19-5-6(4-16-19)17-9-7(12)10(14)18-11(15)8(9)13/h4-5H,2-3H2,1H3,(H,17,18)
InChIKeyDNBVZNMFYOPIEQ-UHFFFAOYSA-N
MW290.22 g/mol
LogP2.22
Rot. Bonds5

About 2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine (PubChem CID 133338800) has the molecular formula C11H10F4N4O and a molecular weight of 290.22 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine
PubChem CID133338800
Molecular FormulaC11H10F4N4O
Molecular Weight290.22 g/mol
Exact Mass290.08
IUPAC Name2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine
SMILESCOCCn1cc(Nc2c(F)c(F)nc(F)c2F)cn1
InChIInChI=1S/C11H10F4N4O/c1-20-3-2-19-5-6(4-16-19)17-9-7(12)10(14)18-11(15)8(9)13/h4-5H,2-3H2,1H3,(H,17,18)
InChIKeyDNBVZNMFYOPIEQ-UHFFFAOYSA-N
XLogP2.22
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine (CID 133338800) is 2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine is COCCn1cc(Nc2c(F)c(F)nc(F)c2F)cn1.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine?
The InChIKey is DNBVZNMFYOPIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4N4O/c1-20-3-2-19-5-6(4-16-19)17-9-7(12)10(14)18-11(15)8(9)13/h4-5H,2-3H2,1H3,(H,17,18).
What are the key properties of 2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine has a molecular weight of 290.22 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 133338800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).