5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile

C15H19N4O3P — CID 7820175

IUPAC5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile
SMILESCCOP(=O)(OCC)[C@H](c1ccccc1)n1ncc(C#N)c1N
InChIInChI=1S/C15H19N4O3P/c1-3-21-23(20,22-4-2)15(12-8-6-5-7-9-12)19-14(17)13(10-16)11-18-19/h5-9,11,15H,3-4,17H2,1-2H3/t15-/m1/s1
InChIKeyGAAMGZKWAJOKIY-OAHLLOKOSA-N
MW334.32 g/mol
LogP3.15
Rot. Bonds7

About 5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile

5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile (PubChem CID 7820175) has the molecular formula C15H19N4O3P and a molecular weight of 334.32 g/mol. Its IUPAC name is 5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile
PubChem CID7820175
Molecular FormulaC15H19N4O3P
Molecular Weight334.32 g/mol
Exact Mass334.12
IUPAC Name5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile
SMILESCCOP(=O)(OCC)[C@H](c1ccccc1)n1ncc(C#N)c1N
InChIInChI=1S/C15H19N4O3P/c1-3-21-23(20,22-4-2)15(12-8-6-5-7-9-12)19-14(17)13(10-16)11-18-19/h5-9,11,15H,3-4,17H2,1-2H3/t15-/m1/s1
InChIKeyGAAMGZKWAJOKIY-OAHLLOKOSA-N
XLogP3.15
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[diethoxyphosphoryl(phenyl)methyl]benzotriazole
CID 3702071
5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile
CID 15407141
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile
CID 22348328
2-diethoxyphosphoryl-2-phenylethanamine
CID 14418072
(1-diethoxyphosphoryl-2-nitropropyl)benzene
CID 10017727
2-[diethoxyphosphoryl(pyridin-3-yl)methyl]propanedinitrile
CID 53310628
[(1R)-1-diethoxyphosphoryl-2-nitroethyl]benzene
CID 7031986
(2-diethoxyphosphoryl-1-nitro-2-phenylethyl)benzene
CID 10361332
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(2S)-2-phenylpropyl]benzamide
CID 95146500
1-diethoxyphosphoryl-1-phenyl-N-trimethylsilyloxybutan-2-imine oxide
CID 10249622
[diethoxyphosphoryl(methylsulfonyl)methyl]benzene
CID 14930742

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile (CID 7820175) is 5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile is CCOP(=O)(OCC)[C@H](c1ccccc1)n1ncc(C#N)c1N.
What is the InChIKey of 5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile?
The InChIKey is GAAMGZKWAJOKIY-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N4O3P/c1-3-21-23(20,22-4-2)15(12-8-6-5-7-9-12)19-14(17)13(10-16)11-18-19/h5-9,11,15H,3-4,17H2,1-2H3/t15-/m1/s1.
What are the key properties of 5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile?
5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile has a molecular weight of 334.32 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 7820175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).