4-(3,5-dimethylpyrazol-1-yl)-6-phenoxypyrimidine

C15H14N4O — CID 850299

IUPAC4-(3,5-dimethylpyrazol-1-yl)-6-phenoxypyrimidine
SMILESCc1cc(C)n(-c2cc(Oc3ccccc3)ncn2)n1
InChIInChI=1S/C15H14N4O/c1-11-8-12(2)19(18-11)14-9-15(17-10-16-14)20-13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyKZORPCLZUJLPSQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.07
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-6-phenoxypyrimidine

4-(3,5-dimethylpyrazol-1-yl)-6-phenoxypyrimidine (PubChem CID 850299) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-6-phenoxypyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-6-phenoxypyrimidine
PubChem CID850299
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-6-phenoxypyrimidine
SMILESCc1cc(C)n(-c2cc(Oc3ccccc3)ncn2)n1
InChIInChI=1S/C15H14N4O/c1-11-8-12(2)19(18-11)14-9-15(17-10-16-14)20-13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyKZORPCLZUJLPSQ-UHFFFAOYSA-N
XLogP3.07
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-phenoxypyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-phenoxypyrimidine (CID 850299) is 4-(3,5-dimethylpyrazol-1-yl)-6-phenoxypyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-6-phenoxypyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-6-phenoxypyrimidine is Cc1cc(C)n(-c2cc(Oc3ccccc3)ncn2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-6-phenoxypyrimidine?
The InChIKey is KZORPCLZUJLPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11-8-12(2)19(18-11)14-9-15(17-10-16-14)20-13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-6-phenoxypyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-6-phenoxypyrimidine has a molecular weight of 266.30 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-6-phenoxypyrimidine is sourced from PubChem (CID 850299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).