2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline

C14H12FN5O2 — CID 164870202

IUPAC2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline
SMILESCOc1ncc(-n2ccc(Oc3ccc(N)c(F)c3)n2)cn1
InChIInChI=1S/C14H12FN5O2/c1-21-14-17-7-9(8-18-14)20-5-4-13(19-20)22-10-2-3-12(16)11(15)6-10/h2-8H,16H2,1H3
InChIKeyHPXRYARVCLVPDO-UHFFFAOYSA-N
MW301.28 g/mol
LogP2.18
Rot. Bonds4

About 2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline

2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline (PubChem CID 164870202) has the molecular formula C14H12FN5O2 and a molecular weight of 301.28 g/mol. Its IUPAC name is 2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline.

Molecular Properties

Compound Name2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline
PubChem CID164870202
Molecular FormulaC14H12FN5O2
Molecular Weight301.28 g/mol
Exact Mass301.10
IUPAC Name2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline
SMILESCOc1ncc(-n2ccc(Oc3ccc(N)c(F)c3)n2)cn1
InChIInChI=1S/C14H12FN5O2/c1-21-14-17-7-9(8-18-14)20-5-4-13(19-20)22-10-2-3-12(16)11(15)6-10/h2-8H,16H2,1H3
InChIKeyHPXRYARVCLVPDO-UHFFFAOYSA-N
XLogP2.18
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline?
The IUPAC name of 2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline (CID 164870202) is 2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline.
What is the SMILES notation for 2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline?
The canonical SMILES for 2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline is COc1ncc(-n2ccc(Oc3ccc(N)c(F)c3)n2)cn1.
What is the InChIKey of 2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline?
The InChIKey is HPXRYARVCLVPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2/c1-21-14-17-7-9(8-18-14)20-5-4-13(19-20)22-10-2-3-12(16)11(15)6-10/h2-8H,16H2,1H3.
What are the key properties of 2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline?
2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline has a molecular weight of 301.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-(2-methoxypyrimidin-5-yl)pyrazol-3-yl]oxyaniline is sourced from PubChem (CID 164870202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).