N-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide

C24H33N7O3 — CID 10983509

IUPACN-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide
SMILESCCN(CC)c1cc(NC(C)=O)c(/N=N/c2c(C#N)c(C(C)(C)C)nn2CC(C)=O)cc1OC
InChIInChI=1S/C24H33N7O3/c1-9-30(10-2)20-11-18(26-16(4)33)19(12-21(20)34-8)27-28-23-17(13-25)22(24(5,6)7)29-31(23)14-15(3)32/h11-12H,9-10,14H2,1-8H3,(H,26,33)/b28-27+
InChIKeyRSTCQPWXJCFAEQ-BYYHNAKLSA-N
MW467.57 g/mol
LogP4.87
Rot. Bonds9

About N-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide

N-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide (PubChem CID 10983509) has the molecular formula C24H33N7O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide
PubChem CID10983509
Molecular FormulaC24H33N7O3
Molecular Weight467.57 g/mol
Exact Mass467.26
IUPAC NameN-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide
SMILESCCN(CC)c1cc(NC(C)=O)c(/N=N/c2c(C#N)c(C(C)(C)C)nn2CC(C)=O)cc1OC
InChIInChI=1S/C24H33N7O3/c1-9-30(10-2)20-11-18(26-16(4)33)19(12-21(20)34-8)27-28-23-17(13-25)22(24(5,6)7)29-31(23)14-15(3)32/h11-12H,9-10,14H2,1-8H3,(H,26,33)/b28-27+
InChIKeyRSTCQPWXJCFAEQ-BYYHNAKLSA-N
XLogP4.87
TPSA124.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide?
The IUPAC name of N-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide (CID 10983509) is N-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide is CCN(CC)c1cc(NC(C)=O)c(/N=N/c2c(C#N)c(C(C)(C)C)nn2CC(C)=O)cc1OC.
What is the InChIKey of N-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide?
The InChIKey is RSTCQPWXJCFAEQ-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H33N7O3/c1-9-30(10-2)20-11-18(26-16(4)33)19(12-21(20)34-8)27-28-23-17(13-25)22(24(5,6)7)29-31(23)14-15(3)32/h11-12H,9-10,14H2,1-8H3,(H,26,33)/b28-27+.
What are the key properties of N-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide?
N-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide has a molecular weight of 467.57 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-tert-butyl-4-cyano-1-(2-oxopropyl)pyrazol-5-yl]diazenyl]-5-(diethylamino)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 10983509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).