4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine

C19H19FN4O — CID 67106036

IUPAC4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cn(C3CCCCO3)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C19H19FN4O/c20-15-6-4-13(5-7-15)19-16(14-8-9-22-17(21)11-14)12-24(23-19)18-3-1-2-10-25-18/h4-9,11-12,18H,1-3,10H2,(H2,21,22)
InChIKeyOHBSNZQWPZRBGM-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.03
Rot. Bonds3

About 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine

4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine (PubChem CID 67106036) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
PubChem CID67106036
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cn(C3CCCCO3)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C19H19FN4O/c20-15-6-4-13(5-7-15)19-16(14-8-9-22-17(21)11-14)12-24(23-19)18-3-1-2-10-25-18/h4-9,11-12,18H,1-3,10H2,(H2,21,22)
InChIKeyOHBSNZQWPZRBGM-UHFFFAOYSA-N
XLogP4.03
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine (CID 67106036) is 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine is Nc1cc(-c2cn(C3CCCCO3)nc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine?
The InChIKey is OHBSNZQWPZRBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-15-6-4-13(5-7-15)19-16(14-8-9-22-17(21)11-14)12-24(23-19)18-3-1-2-10-25-18/h4-9,11-12,18H,1-3,10H2,(H2,21,22).
What are the key properties of 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine?
4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine has a molecular weight of 338.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 67106036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).