4-methoxy-1-methylpyrazole-5-carbonitrile

C6H7N3O — CID 15184252

IUPAC4-methoxy-1-methylpyrazole-5-carbonitrile
SMILESCOc1cnn(C)c1C#N
InChIInChI=1S/C6H7N3O/c1-9-5(3-7)6(10-2)4-8-9/h4H,1-2H3
InChIKeyTWJXEGUAGLYGEL-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.30
Rot. Bonds1

About 4-methoxy-1-methylpyrazole-5-carbonitrile

4-methoxy-1-methylpyrazole-5-carbonitrile (PubChem CID 15184252) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 4-methoxy-1-methylpyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-methoxy-1-methylpyrazole-5-carbonitrile
PubChem CID15184252
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name4-methoxy-1-methylpyrazole-5-carbonitrile
SMILESCOc1cnn(C)c1C#N
InChIInChI=1S/C6H7N3O/c1-9-5(3-7)6(10-2)4-8-9/h4H,1-2H3
InChIKeyTWJXEGUAGLYGEL-UHFFFAOYSA-N
XLogP0.30
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylpyrazole-5-carbonitrile?
The IUPAC name of 4-methoxy-1-methylpyrazole-5-carbonitrile (CID 15184252) is 4-methoxy-1-methylpyrazole-5-carbonitrile.
What is the SMILES notation for 4-methoxy-1-methylpyrazole-5-carbonitrile?
The canonical SMILES for 4-methoxy-1-methylpyrazole-5-carbonitrile is COc1cnn(C)c1C#N.
What is the InChIKey of 4-methoxy-1-methylpyrazole-5-carbonitrile?
The InChIKey is TWJXEGUAGLYGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-9-5(3-7)6(10-2)4-8-9/h4H,1-2H3.
What are the key properties of 4-methoxy-1-methylpyrazole-5-carbonitrile?
4-methoxy-1-methylpyrazole-5-carbonitrile has a molecular weight of 137.14 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylpyrazole-5-carbonitrile is sourced from PubChem (CID 15184252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).