4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide

C24H21ClN4O2 — CID 44763130

IUPAC4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide
SMILESNc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(C(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C24H21ClN4O2/c25-19-10-6-17(7-11-19)22-16-23(26)29(28-22)20-12-8-18(9-13-20)24(30)27-14-15-31-21-4-2-1-3-5-21/h1-13,16H,14-15,26H2,(H,27,30)
InChIKeyUSEGMABADDZOGW-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.58
Rot. Bonds7

About 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide

4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide (PubChem CID 44763130) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide
PubChem CID44763130
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide
SMILESNc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(C(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C24H21ClN4O2/c25-19-10-6-17(7-11-19)22-16-23(26)29(28-22)20-12-8-18(9-13-20)24(30)27-14-15-31-21-4-2-1-3-5-21/h1-13,16H,14-15,26H2,(H,27,30)
InChIKeyUSEGMABADDZOGW-UHFFFAOYSA-N
XLogP4.58
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 44763355
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-pentylbenzamide
CID 44763412
1-[5-amino-1,3-bis(4-chlorophenyl)pyrazol-4-yl]-3-(2-phenoxyethyl)urea
CID 42685093
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822
3-[[4-[[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]amino]benzoyl]amino]propanoic acid
CID 166202136
3-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]benzoic acid
CID 24786705
N-[2-(4-chlorophenoxy)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46680579
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 44763704
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 44763333
N-[2-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenoxy]ethyl]-4-sulfamoylbenzamide
CID 162668343
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide
CID 55815124

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide (CID 44763130) is 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide is Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(C(=O)NCCOc2ccccc2)cc1.
What is the InChIKey of 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide?
The InChIKey is USEGMABADDZOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c25-19-10-6-17(7-11-19)22-16-23(26)29(28-22)20-12-8-18(9-13-20)24(30)27-14-15-31-21-4-2-1-3-5-21/h1-13,16H,14-15,26H2,(H,27,30).
What are the key properties of 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide?
4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide has a molecular weight of 432.91 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 44763130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).