N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide

C27H34N4O3 — CID 42733093

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
SMILESCC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C27H34N4O3/c1-20(2)17-30(26(33)19-34-22-14-10-7-11-15-22)18-25(32)28-24-16-23(27(3,4)5)29-31(24)21-12-8-6-9-13-21/h6-16,20H,17-19H2,1-5H3,(H,28,32)
InChIKeyCPRKOIMGCKHKFA-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.67
Rot. Bonds9

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide (PubChem CID 42733093) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
PubChem CID42733093
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
SMILESCC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C(=O)COc1ccccc1
InChIInChI=1S/C27H34N4O3/c1-20(2)17-30(26(33)19-34-22-14-10-7-11-15-22)18-25(32)28-24-16-23(27(3,4)5)29-31(24)21-12-8-6-9-13-21/h6-16,20H,17-19H2,1-5H3,(H,28,32)
InChIKeyCPRKOIMGCKHKFA-UHFFFAOYSA-N
XLogP4.67
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-ditert-butylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 1052181
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-[ethyl-(2-phenoxyacetyl)amino]acetamide
CID 42658218
2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3986712
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 42733620
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 42733558
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7696915
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(3,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 3621664
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4666820
N-[2-[[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)propanamide
CID 42733455
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

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide (CID 42733093) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide is CC(C)CN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C(=O)COc1ccccc1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide?
The InChIKey is CPRKOIMGCKHKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-20(2)17-30(26(33)19-34-22-14-10-7-11-15-22)18-25(32)28-24-16-23(27(3,4)5)29-31(24)21-12-8-6-9-13-21/h6-16,20H,17-19H2,1-5H3,(H,28,32).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide has a molecular weight of 462.59 g/mol, XLogP of 4.67, 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-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 42733093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).