5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile

C12H12N4O — CID 16747853

IUPAC5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CC(O)c2ccccc2)c1N
InChIInChI=1S/C12H12N4O/c13-6-10-7-15-16(12(10)14)8-11(17)9-4-2-1-3-5-9/h1-5,7,11,17H,8,14H2
InChIKeyPDXSBZMISZODAX-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.07
Rot. Bonds3

About 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile

5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile (PubChem CID 16747853) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile
PubChem CID16747853
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CC(O)c2ccccc2)c1N
InChIInChI=1S/C12H12N4O/c13-6-10-7-15-16(12(10)14)8-11(17)9-4-2-1-3-5-9/h1-5,7,11,17H,8,14H2
InChIKeyPDXSBZMISZODAX-UHFFFAOYSA-N
XLogP1.07
TPSA87.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile (CID 16747853) is 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile is N#Cc1cnn(CC(O)c2ccccc2)c1N.
What is the InChIKey of 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile?
The InChIKey is PDXSBZMISZODAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-6-10-7-15-16(12(10)14)8-11(17)9-4-2-1-3-5-9/h1-5,7,11,17H,8,14H2.
What are the key properties of 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile?
5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile has a molecular weight of 228.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 16747853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).