N-[2-[(3-amino-4-cyano-1-methylpyrazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide

C17H22N8O — CID 10948211

IUPACN-[2-[(3-amino-4-cyano-1-methylpyrazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(/N=N/c2c(C#N)c(N)nn2C)c(NC(C)=O)c1
InChIInChI=1S/C17H22N8O/c1-5-25(6-2)12-7-8-14(15(9-12)20-11(3)26)21-22-17-13(10-18)16(19)23-24(17)4/h7-9H,5-6H2,1-4H3,(H2,19,23)(H,20,26)/b22-21+
InChIKeyMYLCPGIYNSHWTQ-QURGRASLSA-N
MW354.42 g/mol
LogP3.09
Rot. Bonds6

About N-[2-[(3-amino-4-cyano-1-methylpyrazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide

N-[2-[(3-amino-4-cyano-1-methylpyrazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide (PubChem CID 10948211) has the molecular formula C17H22N8O and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[2-[(3-amino-4-cyano-1-methylpyrazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-amino-4-cyano-1-methylpyrazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide
PubChem CID10948211
Molecular FormulaC17H22N8O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC NameN-[2-[(3-amino-4-cyano-1-methylpyrazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(/N=N/c2c(C#N)c(N)nn2C)c(NC(C)=O)c1
InChIInChI=1S/C17H22N8O/c1-5-25(6-2)12-7-8-14(15(9-12)20-11(3)26)21-22-17-13(10-18)16(19)23-24(17)4/h7-9H,5-6H2,1-4H3,(H2,19,23)(H,20,26)/b22-21+
InChIKeyMYLCPGIYNSHWTQ-QURGRASLSA-N
XLogP3.09
TPSA124.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-4-cyano-1-methylpyrazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide?
The IUPAC name of N-[2-[(3-amino-4-cyano-1-methylpyrazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide (CID 10948211) is N-[2-[(3-amino-4-cyano-1-methylpyrazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-[(3-amino-4-cyano-1-methylpyrazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide?
The canonical SMILES for N-[2-[(3-amino-4-cyano-1-methylpyrazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(/N=N/c2c(C#N)c(N)nn2C)c(NC(C)=O)c1.
What is the InChIKey of N-[2-[(3-amino-4-cyano-1-methylpyrazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide?
The InChIKey is MYLCPGIYNSHWTQ-QURGRASLSA-N. The full InChI is InChI=1S/C17H22N8O/c1-5-25(6-2)12-7-8-14(15(9-12)20-11(3)26)21-22-17-13(10-18)16(19)23-24(17)4/h7-9H,5-6H2,1-4H3,(H2,19,23)(H,20,26)/b22-21+.
What are the key properties of N-[2-[(3-amino-4-cyano-1-methylpyrazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide?
N-[2-[(3-amino-4-cyano-1-methylpyrazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide has a molecular weight of 354.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-4-cyano-1-methylpyrazol-5-yl)diazenyl]-5-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 10948211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).