2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile

C10H9N5O — CID 107546006

IUPAC2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile
SMILESCc1cc(Oc2nccc(C#N)n2)n(C)n1
InChIInChI=1S/C10H9N5O/c1-7-5-9(15(2)14-7)16-10-12-4-3-8(6-11)13-10/h3-5H,1-2H3
InChIKeyAXVCVIAOYKJBQV-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.18
Rot. Bonds2

About 2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile

2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile (PubChem CID 107546006) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile
PubChem CID107546006
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile
SMILESCc1cc(Oc2nccc(C#N)n2)n(C)n1
InChIInChI=1S/C10H9N5O/c1-7-5-9(15(2)14-7)16-10-12-4-3-8(6-11)13-10/h3-5H,1-2H3
InChIKeyAXVCVIAOYKJBQV-UHFFFAOYSA-N
XLogP1.18
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile (CID 107546006) is 2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile is Cc1cc(Oc2nccc(C#N)n2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile?
The InChIKey is AXVCVIAOYKJBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-7-5-9(15(2)14-7)16-10-12-4-3-8(6-11)13-10/h3-5H,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile?
2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile has a molecular weight of 215.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile is sourced from PubChem (CID 107546006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).