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

C6H8N4O — CID 54594704

IUPAC3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cn(CCO)nc1N
InChIInChI=1S/C6H8N4O/c7-3-5-4-10(1-2-11)9-6(5)8/h4,11H,1-2H2,(H2,8,9)
InChIKeyNJSHYZTVFYAKDL-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.67
Rot. Bonds2

About 3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile

3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile (PubChem CID 54594704) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
PubChem CID54594704
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cn(CCO)nc1N
InChIInChI=1S/C6H8N4O/c7-3-5-4-10(1-2-11)9-6(5)8/h4,11H,1-2H2,(H2,8,9)
InChIKeyNJSHYZTVFYAKDL-UHFFFAOYSA-N
XLogP-0.67
TPSA87.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile (CID 54594704) is 3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is N#Cc1cn(CCO)nc1N.
What is the InChIKey of 3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The InChIKey is NJSHYZTVFYAKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c7-3-5-4-10(1-2-11)9-6(5)8/h4,11H,1-2H2,(H2,8,9).
What are the key properties of 3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile has a molecular weight of 152.16 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 54594704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).