N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide

C25H28N4O3 — CID 108746111

IUPACN,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C25H28N4O3/c1-3-28(4-2)25(32)21-18-26-29(20-14-9-6-10-15-20)24(21)27-23(31)17-11-16-22(30)19-12-7-5-8-13-19/h5-10,12-15,18H,3-4,11,16-17H2,1-2H3,(H,27,31)
InChIKeyOYTLYOCTADNEKL-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.35
Rot. Bonds10

About N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide

N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide (PubChem CID 108746111) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide
PubChem CID108746111
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C25H28N4O3/c1-3-28(4-2)25(32)21-18-26-29(20-14-9-6-10-15-20)24(21)27-23(31)17-11-16-22(30)19-12-7-5-8-13-19/h5-10,12-15,18H,3-4,11,16-17H2,1-2H3,(H,27,31)
InChIKeyOYTLYOCTADNEKL-UHFFFAOYSA-N
XLogP4.35
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide 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

N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
N,N-diethyl-5-(3-methylbutanoylamino)-1-phenylpyrazole-4-carboxamide
CID 108768330
N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746120
5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746038
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746083
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061
N,N-diethyl-1-phenyl-5-[(4-propan-2-ylbenzoyl)amino]pyrazole-4-carboxamide
CID 108746075
N,N-diethyl-5-[(5-methylfuran-2-carbonyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746142
N,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide
CID 108746028

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide (CID 108746111) is N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)CCCC(=O)c1ccccc1.
What is the InChIKey of N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is OYTLYOCTADNEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-28(4-2)25(32)21-18-26-29(20-14-9-6-10-15-20)24(21)27-23(31)17-11-16-22(30)19-12-7-5-8-13-19/h5-10,12-15,18H,3-4,11,16-17H2,1-2H3,(H,27,31).
What are the key properties of N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide?
N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108746111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).