5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile

C6H7N3O — CID 131545365

IUPAC5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile
SMILESCn1nc(C#N)cc1CO
InChIInChI=1S/C6H7N3O/c1-9-6(4-10)2-5(3-7)8-9/h2,10H,4H2,1H3
InChIKeyYAWOWCVULLCTQI-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.22
Rot. Bonds1

About 5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile

5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile (PubChem CID 131545365) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile
PubChem CID131545365
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile
SMILESCn1nc(C#N)cc1CO
InChIInChI=1S/C6H7N3O/c1-9-6(4-10)2-5(3-7)8-9/h2,10H,4H2,1H3
InChIKeyYAWOWCVULLCTQI-UHFFFAOYSA-N
XLogP-0.22
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile?
The IUPAC name of 5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile (CID 131545365) is 5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile.
What is the SMILES notation for 5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile?
The canonical SMILES for 5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile is Cn1nc(C#N)cc1CO.
What is the InChIKey of 5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile?
The InChIKey is YAWOWCVULLCTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-9-6(4-10)2-5(3-7)8-9/h2,10H,4H2,1H3.
What are the key properties of 5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile?
5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile has a molecular weight of 137.14 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 131545365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).