N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide

C26H31ClN4O3 — CID 4684063

IUPACN-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl)C(=O)COCc1ccccc1
InChIInChI=1S/C26H31ClN4O3/c1-5-30(25(33)18-34-17-19-11-7-6-8-12-19)16-24(32)28-23-15-22(26(2,3)4)29-31(23)21-14-10-9-13-20(21)27/h6-15H,5,16-18H2,1-4H3,(H,28,32)
InChIKeyMQGCJYFGPVQGQU-UHFFFAOYSA-N
MW483.01 g/mol
LogP4.83
Rot. Bonds9

About N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide

N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide (PubChem CID 4684063) has the molecular formula C26H31ClN4O3 and a molecular weight of 483.01 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide
PubChem CID4684063
Molecular FormulaC26H31ClN4O3
Molecular Weight483.01 g/mol
Exact Mass482.21
IUPAC NameN-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl)C(=O)COCc1ccccc1
InChIInChI=1S/C26H31ClN4O3/c1-5-30(25(33)18-34-17-19-11-7-6-8-12-19)16-24(32)28-23-15-22(26(2,3)4)29-31(23)21-14-10-9-13-20(21)27/h6-15H,5,16-18H2,1-4H3,(H,28,32)
InChIKeyMQGCJYFGPVQGQU-UHFFFAOYSA-N
XLogP4.83
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.01
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[butyl-(2-phenylmethoxyacetyl)amino]acetamide
CID 3279055
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenylmethoxyacetyl)amino]acetamide
CID 3512276
N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-3-methylbutanamide
CID 42732139
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
CID 4690574
2-[benzyl(dimethylcarbamoyl)amino]-N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]acetamide
CID 42736783
N-benzyl-N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 3658654
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[(2,3-dichlorophenyl)carbamoyl-ethylamino]acetamide
CID 3918236
N-butyl-N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]pentanamide
CID 42732317
N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-pentylbenzamide
CID 42732134
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 42732476
N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-hexylbenzamide
CID 4019731
N-butyl-N-[2-[[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]nonanamide
CID 4253712

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide?
The IUPAC name of N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide (CID 4684063) is N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide?
The canonical SMILES for N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide is CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl)C(=O)COCc1ccccc1.
What is the InChIKey of N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide?
The InChIKey is MQGCJYFGPVQGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O3/c1-5-30(25(33)18-34-17-19-11-7-6-8-12-19)16-24(32)28-23-15-22(26(2,3)4)29-31(23)21-14-10-9-13-20(21)27/h6-15H,5,16-18H2,1-4H3,(H,28,32).
What are the key properties of N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide?
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide has a molecular weight of 483.01 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide is sourced from PubChem (CID 4684063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).