N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide

C27H33ClN4O3 — CID 4690574

IUPACN-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)C(=O)COCc1ccccc1
InChIInChI=1S/C27H33ClN4O3/c1-5-15-31(26(34)19-35-18-20-9-7-6-8-10-20)17-25(33)29-24-16-23(27(2,3)4)30-32(24)22-13-11-21(28)12-14-22/h6-14,16H,5,15,17-19H2,1-4H3,(H,29,33)
InChIKeyZXZISEAKCUCWRK-UHFFFAOYSA-N
MW497.04 g/mol
LogP5.22
Rot. Bonds10

About N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide

N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide (PubChem CID 4690574) has the molecular formula C27H33ClN4O3 and a molecular weight of 497.04 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
PubChem CID4690574
Molecular FormulaC27H33ClN4O3
Molecular Weight497.04 g/mol
Exact Mass496.22
IUPAC NameN-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)C(=O)COCc1ccccc1
InChIInChI=1S/C27H33ClN4O3/c1-5-15-31(26(34)19-35-18-20-9-7-6-8-10-20)17-25(33)29-24-16-23(27(2,3)4)30-32(24)22-13-11-21(28)12-14-22/h6-14,16H,5,15,17-19H2,1-4H3,(H,29,33)
InChIKeyZXZISEAKCUCWRK-UHFFFAOYSA-N
XLogP5.22
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.04
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide
CID 5140231
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[butyl-(2-phenylmethoxyacetyl)amino]acetamide
CID 3279055
N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 42733309
N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenylmethoxyacetyl)amino]acetamide
CID 4684063
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-phenylpyrazol-5-yl)amino]-2-oxoethyl]-3,3-dimethyl-N-propylbutanamide
CID 42733476
N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(3-methylbutyl)-3-phenylpropanamide
CID 4636907
2-[butyl-(2-methoxyacetyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42733145
2-[benzylcarbamoyl(propyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 1052711
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[propyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4695442
2-[butyl-(2-phenylmethoxyacetyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 42732225
N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]propanamide
CID 1060840

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide?
The IUPAC name of N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide (CID 4690574) is N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide is CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)C(=O)COCc1ccccc1.
What is the InChIKey of N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide?
The InChIKey is ZXZISEAKCUCWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN4O3/c1-5-15-31(26(34)19-35-18-20-9-7-6-8-10-20)17-25(33)29-24-16-23(27(2,3)4)30-32(24)22-13-11-21(28)12-14-22/h6-14,16H,5,15,17-19H2,1-4H3,(H,29,33).
What are the key properties of N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide?
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide has a molecular weight of 497.04 g/mol, XLogP of 5.22, 10 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-(4-chlorophenyl)pyrazol-5-yl]-2-[(2-phenylmethoxyacetyl)-propylamino]acetamide is sourced from PubChem (CID 4690574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).