4-chloro-6-[1-(3,5-difluorophenyl)-3-phenylpyrazol-5-yl]oxypyrimidin-5-amine

C19H12ClF2N5O — CID 46172789

IUPAC4-chloro-6-[1-(3,5-difluorophenyl)-3-phenylpyrazol-5-yl]oxypyrimidin-5-amine
SMILESNc1c(Cl)ncnc1Oc1cc(-c2ccccc2)nn1-c1cc(F)cc(F)c1
InChIInChI=1S/C19H12ClF2N5O/c20-18-17(23)19(25-10-24-18)28-16-9-15(11-4-2-1-3-5-11)26-27(16)14-7-12(21)6-13(22)8-14/h1-10H,23H2
InChIKeySPHRYSAUUYMGFJ-UHFFFAOYSA-N
MW399.79 g/mol
LogP4.64
Rot. Bonds4

About 4-chloro-6-[1-(3,5-difluorophenyl)-3-phenylpyrazol-5-yl]oxypyrimidin-5-amine

4-chloro-6-[1-(3,5-difluorophenyl)-3-phenylpyrazol-5-yl]oxypyrimidin-5-amine (PubChem CID 46172789) has the molecular formula C19H12ClF2N5O and a molecular weight of 399.79 g/mol. Its IUPAC name is 4-chloro-6-[1-(3,5-difluorophenyl)-3-phenylpyrazol-5-yl]oxypyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-[1-(3,5-difluorophenyl)-3-phenylpyrazol-5-yl]oxypyrimidin-5-amine
PubChem CID46172789
Molecular FormulaC19H12ClF2N5O
Molecular Weight399.79 g/mol
Exact Mass399.07
IUPAC Name4-chloro-6-[1-(3,5-difluorophenyl)-3-phenylpyrazol-5-yl]oxypyrimidin-5-amine
SMILESNc1c(Cl)ncnc1Oc1cc(-c2ccccc2)nn1-c1cc(F)cc(F)c1
InChIInChI=1S/C19H12ClF2N5O/c20-18-17(23)19(25-10-24-18)28-16-9-15(11-4-2-1-3-5-11)26-27(16)14-7-12(21)6-13(22)8-14/h1-10H,23H2
InChIKeySPHRYSAUUYMGFJ-UHFFFAOYSA-N
XLogP4.64
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.79
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[1-(3,5-difluorophenyl)-3-phenylpyrazol-5-yl]oxypyrimidin-5-amine?
The IUPAC name of 4-chloro-6-[1-(3,5-difluorophenyl)-3-phenylpyrazol-5-yl]oxypyrimidin-5-amine (CID 46172789) is 4-chloro-6-[1-(3,5-difluorophenyl)-3-phenylpyrazol-5-yl]oxypyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-[1-(3,5-difluorophenyl)-3-phenylpyrazol-5-yl]oxypyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-[1-(3,5-difluorophenyl)-3-phenylpyrazol-5-yl]oxypyrimidin-5-amine is Nc1c(Cl)ncnc1Oc1cc(-c2ccccc2)nn1-c1cc(F)cc(F)c1.
What is the InChIKey of 4-chloro-6-[1-(3,5-difluorophenyl)-3-phenylpyrazol-5-yl]oxypyrimidin-5-amine?
The InChIKey is SPHRYSAUUYMGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N5O/c20-18-17(23)19(25-10-24-18)28-16-9-15(11-4-2-1-3-5-11)26-27(16)14-7-12(21)6-13(22)8-14/h1-10H,23H2.
What are the key properties of 4-chloro-6-[1-(3,5-difluorophenyl)-3-phenylpyrazol-5-yl]oxypyrimidin-5-amine?
4-chloro-6-[1-(3,5-difluorophenyl)-3-phenylpyrazol-5-yl]oxypyrimidin-5-amine has a molecular weight of 399.79 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[1-(3,5-difluorophenyl)-3-phenylpyrazol-5-yl]oxypyrimidin-5-amine is sourced from PubChem (CID 46172789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).