N,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide

C25H26N6O3 — CID 108746028

IUPACN,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C25H26N6O3/c1-3-30(4-2)25(34)18-16-26-31(17-10-6-5-7-11-17)23(18)29-22(32)15-14-21-24(33)28-20-13-9-8-12-19(20)27-21/h5-13,16H,3-4,14-15H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyZITLZRNLWGDVCL-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.16
Rot. Bonds8

About N,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide

N,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide (PubChem CID 108746028) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is N,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide
PubChem CID108746028
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC NameN,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)CCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C25H26N6O3/c1-3-30(4-2)25(34)18-16-26-31(17-10-6-5-7-11-17)23(18)29-22(32)15-14-21-24(33)28-20-13-9-8-12-19(20)27-21/h5-13,16H,3-4,14-15H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyZITLZRNLWGDVCL-UHFFFAOYSA-N
XLogP3.16
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1-phenyl-5-(propanoylamino)pyrazole-4-carboxamide
CID 108746073
N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746111
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
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
ethyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746081
5-(cyclopropanecarbonylamino)-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108746029
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061
N,N-diethyl-5-[(5-methylfuran-2-carbonyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746142
N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164677
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide (CID 108746028) is N,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)CCc1nc2ccccc2[nH]c1=O.
What is the InChIKey of N,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZITLZRNLWGDVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-3-30(4-2)25(34)18-16-26-31(17-10-6-5-7-11-17)23(18)29-22(32)15-14-21-24(33)28-20-13-9-8-12-19(20)27-21/h5-13,16H,3-4,14-15H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of N,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide?
N,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylamino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108746028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).