4-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]oxy-5-propylpyrimidine

C15H14FN5O — CID 59646829

IUPAC4-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]oxy-5-propylpyrimidine
SMILESCCCc1cncnc1Oc1ccnn1-c1cccc(F)n1
InChIInChI=1S/C15H14FN5O/c1-2-4-11-9-17-10-18-15(11)22-14-7-8-19-21(14)13-6-3-5-12(16)20-13/h3,5-10H,2,4H2,1H3
InChIKeyBVWMKVBDNAONOA-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.94
Rot. Bonds5

About 4-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]oxy-5-propylpyrimidine

4-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]oxy-5-propylpyrimidine (PubChem CID 59646829) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]oxy-5-propylpyrimidine.

Molecular Properties

Compound Name4-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]oxy-5-propylpyrimidine
PubChem CID59646829
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name4-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]oxy-5-propylpyrimidine
SMILESCCCc1cncnc1Oc1ccnn1-c1cccc(F)n1
InChIInChI=1S/C15H14FN5O/c1-2-4-11-9-17-10-18-15(11)22-14-7-8-19-21(14)13-6-3-5-12(16)20-13/h3,5-10H,2,4H2,1H3
InChIKeyBVWMKVBDNAONOA-UHFFFAOYSA-N
XLogP2.94
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]oxy-5-propylpyrimidine?
The IUPAC name of 4-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]oxy-5-propylpyrimidine (CID 59646829) is 4-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]oxy-5-propylpyrimidine.
What is the SMILES notation for 4-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]oxy-5-propylpyrimidine?
The canonical SMILES for 4-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]oxy-5-propylpyrimidine is CCCc1cncnc1Oc1ccnn1-c1cccc(F)n1.
What is the InChIKey of 4-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]oxy-5-propylpyrimidine?
The InChIKey is BVWMKVBDNAONOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-2-4-11-9-17-10-18-15(11)22-14-7-8-19-21(14)13-6-3-5-12(16)20-13/h3,5-10H,2,4H2,1H3.
What are the key properties of 4-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]oxy-5-propylpyrimidine?
4-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]oxy-5-propylpyrimidine has a molecular weight of 299.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-fluoro-2-pyridinyl)pyrazol-3-yl]oxy-5-propylpyrimidine is sourced from PubChem (CID 59646829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).