1-(2-hydroxyethyl)pyrazole-4-carbonitrile

C6H7N3O — CID 10898775

IUPAC1-(2-hydroxyethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CCO)c1
InChIInChI=1S/C6H7N3O/c7-3-6-4-8-9(5-6)1-2-10/h4-5,10H,1-2H2
InChIKeyQNVZNWVEPSFMRL-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.25
Rot. Bonds2

About 1-(2-hydroxyethyl)pyrazole-4-carbonitrile

1-(2-hydroxyethyl)pyrazole-4-carbonitrile (PubChem CID 10898775) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyethyl)pyrazole-4-carbonitrile
PubChem CID10898775
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name1-(2-hydroxyethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CCO)c1
InChIInChI=1S/C6H7N3O/c7-3-6-4-8-9(5-6)1-2-10/h4-5,10H,1-2H2
InChIKeyQNVZNWVEPSFMRL-UHFFFAOYSA-N
XLogP-0.25
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(2-hydroxyethyl)pyrazole-4-carbonitrile (CID 10898775) is 1-(2-hydroxyethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(2-hydroxyethyl)pyrazole-4-carbonitrile is N#Cc1cnn(CCO)c1.
What is the InChIKey of 1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The InChIKey is QNVZNWVEPSFMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c7-3-6-4-8-9(5-6)1-2-10/h4-5,10H,1-2H2.
What are the key properties of 1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
1-(2-hydroxyethyl)pyrazole-4-carbonitrile has a molecular weight of 137.14 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 10898775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).