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

C20H26N8O — CID 59703116

IUPACN-[2-[[3-(1-aminoethenyl)-4-cyano-1-ethylpyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide
SMILESC=C(N)c1nn(CC)c(/N=N/c2ccc(N(CC)CC)cc2NC(C)=O)c1C#N
InChIInChI=1S/C20H26N8O/c1-6-27(7-2)15-9-10-17(18(11-15)23-14(5)29)24-25-20-16(12-21)19(13(4)22)26-28(20)8-3/h9-11H,4,6-8,22H2,1-3,5H3,(H,23,29)/b25-24+
InChIKeyPNYUQSQFKQUNQB-OCOZRVBESA-N
MW394.48 g/mol
LogP3.92
Rot. Bonds8

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

N-[2-[[3-(1-aminoethenyl)-4-cyano-1-ethylpyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide (PubChem CID 59703116) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[2-[[3-(1-aminoethenyl)-4-cyano-1-ethylpyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(1-aminoethenyl)-4-cyano-1-ethylpyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide
PubChem CID59703116
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC NameN-[2-[[3-(1-aminoethenyl)-4-cyano-1-ethylpyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide
SMILESC=C(N)c1nn(CC)c(/N=N/c2ccc(N(CC)CC)cc2NC(C)=O)c1C#N
InChIInChI=1S/C20H26N8O/c1-6-27(7-2)15-9-10-17(18(11-15)23-14(5)29)24-25-20-16(12-21)19(13(4)22)26-28(20)8-3/h9-11H,4,6-8,22H2,1-3,5H3,(H,23,29)/b25-24+
InChIKeyPNYUQSQFKQUNQB-OCOZRVBESA-N
XLogP3.92
TPSA124.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.92
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-(1-aminoethenyl)-4-cyano-1-ethylpyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide?
The IUPAC name of N-[2-[[3-(1-aminoethenyl)-4-cyano-1-ethylpyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide (CID 59703116) is N-[2-[[3-(1-aminoethenyl)-4-cyano-1-ethylpyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-[[3-(1-aminoethenyl)-4-cyano-1-ethylpyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide?
The canonical SMILES for N-[2-[[3-(1-aminoethenyl)-4-cyano-1-ethylpyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide is C=C(N)c1nn(CC)c(/N=N/c2ccc(N(CC)CC)cc2NC(C)=O)c1C#N.
What is the InChIKey of N-[2-[[3-(1-aminoethenyl)-4-cyano-1-ethylpyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide?
The InChIKey is PNYUQSQFKQUNQB-OCOZRVBESA-N. The full InChI is InChI=1S/C20H26N8O/c1-6-27(7-2)15-9-10-17(18(11-15)23-14(5)29)24-25-20-16(12-21)19(13(4)22)26-28(20)8-3/h9-11H,4,6-8,22H2,1-3,5H3,(H,23,29)/b25-24+.
What are the key properties of N-[2-[[3-(1-aminoethenyl)-4-cyano-1-ethylpyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide?
N-[2-[[3-(1-aminoethenyl)-4-cyano-1-ethylpyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide has a molecular weight of 394.48 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(1-aminoethenyl)-4-cyano-1-ethylpyrazol-5-yl]diazenyl]-5-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 59703116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).