N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide

C21H29N5O4 — CID 56521772

IUPACN',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide
SMILESCCN(CC)C(=O)CCCC(=O)Nc1cnn(CC(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C21H29N5O4/c1-4-25(5-2)21(29)8-6-7-19(27)24-17-13-22-26(14-17)15-20(28)23-16-9-11-18(30-3)12-10-16/h9-14H,4-8,15H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyXELHLOXQUQEWMP-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.51
Rot. Bonds11

About N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide

N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide (PubChem CID 56521772) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide
PubChem CID56521772
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC NameN',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide
SMILESCCN(CC)C(=O)CCCC(=O)Nc1cnn(CC(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C21H29N5O4/c1-4-25(5-2)21(29)8-6-7-19(27)24-17-13-22-26(14-17)15-20(28)23-16-9-11-18(30-3)12-10-16/h9-14H,4-8,15H2,1-3H3,(H,23,28)(H,24,27)
InChIKeyXELHLOXQUQEWMP-UHFFFAOYSA-N
XLogP2.51
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide 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-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 49214206
2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120988056
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide
CID 49214185
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 49214142
4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid
CID 119177704
N-(4-methoxyphenyl)-6-oxooctanamide
CID 15388979
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 126784378
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119309091
2-(4-aminopyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 43445275
2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 60911192

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide?
The IUPAC name of N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide (CID 56521772) is N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide.
What is the SMILES notation for N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide?
The canonical SMILES for N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide is CCN(CC)C(=O)CCCC(=O)Nc1cnn(CC(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide?
The InChIKey is XELHLOXQUQEWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-4-25(5-2)21(29)8-6-7-19(27)24-17-13-22-26(14-17)15-20(28)23-16-9-11-18(30-3)12-10-16/h9-14H,4-8,15H2,1-3H3,(H,23,28)(H,24,27).
What are the key properties of N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide?
N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide has a molecular weight of 415.49 g/mol, XLogP of 2.51, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]pentanediamide is sourced from PubChem (CID 56521772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).