N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide

C25H29FN4O3 — CID 42658218

IUPACN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C25H29FN4O3/c1-5-29(24(32)17-33-20-9-7-6-8-10-20)16-23(31)27-22-15-21(25(2,3)4)28-30(22)19-13-11-18(26)12-14-19/h6-15H,5,16-17H2,1-4H3,(H,27,31)
InChIKeyOTZUTWKBLZXYRS-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.17
Rot. Bonds8

About N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide

N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide (PubChem CID 42658218) has the molecular formula C25H29FN4O3 and a molecular weight of 452.53 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide
PubChem CID42658218
Molecular FormulaC25H29FN4O3
Molecular Weight452.53 g/mol
Exact Mass452.22
IUPAC NameN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)C(=O)COc1ccccc1
InChIInChI=1S/C25H29FN4O3/c1-5-29(24(32)17-33-20-9-7-6-8-10-20)16-23(31)27-22-15-21(25(2,3)4)28-30(22)19-13-11-18(26)12-14-19/h6-15H,5,16-17H2,1-4H3,(H,27,31)
InChIKeyOTZUTWKBLZXYRS-UHFFFAOYSA-N
XLogP4.17
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 42733093
N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 42740947
N-[2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-(trifluoromethyl)benzamide
CID 42733451
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-(2-phenoxyacetyl)amino]acetamide
CID 42735531
N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]propanamide
CID 1060840
2-[butyl-(2-methoxyacetyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42733145
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42733329
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7696915
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-2-(4-fluorophenyl)acetamide
CID 42732493
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethylpentanamide
CID 42733647
N-(1,3-ditert-butylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 1052181
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(3,4-difluorophenyl)carbamoyl-ethylamino]acetamide
CID 1052585

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide (CID 42658218) is N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide is CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)C(=O)COc1ccccc1.
What is the InChIKey of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide?
The InChIKey is OTZUTWKBLZXYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3/c1-5-29(24(32)17-33-20-9-7-6-8-10-20)16-23(31)27-22-15-21(25(2,3)4)28-30(22)19-13-11-18(26)12-14-19/h6-15H,5,16-17H2,1-4H3,(H,27,31).
What are the key properties of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide?
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide has a molecular weight of 452.53 g/mol, XLogP of 4.17, 8 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-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 42658218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).