5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile

C6H8N4O — CID 22348328

IUPAC5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile
SMILESCC(O)n1ncc(C#N)c1N
InChIInChI=1S/C6H8N4O/c1-4(11)10-6(8)5(2-7)3-9-10/h3-4,11H,8H2,1H3
InChIKeyMCCBXPHUBUVDKI-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.15
Rot. Bonds1

About 5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile

5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile (PubChem CID 22348328) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile
PubChem CID22348328
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile
SMILESCC(O)n1ncc(C#N)c1N
InChIInChI=1S/C6H8N4O/c1-4(11)10-6(8)5(2-7)3-9-10/h3-4,11H,8H2,1H3
InChIKeyMCCBXPHUBUVDKI-UHFFFAOYSA-N
XLogP-0.15
TPSA87.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile (CID 22348328) is 5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile is CC(O)n1ncc(C#N)c1N.
What is the InChIKey of 5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile?
The InChIKey is MCCBXPHUBUVDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-4(11)10-6(8)5(2-7)3-9-10/h3-4,11H,8H2,1H3.
What are the key properties of 5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile?
5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile has a molecular weight of 152.16 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 22348328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).