N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide

C22H33N5O2 — CID 5176067

IUPACN-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C22H33N5O2/c1-8-26(20(29)23-16-12-10-9-11-13-16)15-19(28)24-18-14-17(21(2,3)4)25-27(18)22(5,6)7/h9-14H,8,15H2,1-7H3,(H,23,29)(H,24,28)
InChIKeyMITXQASMAKWGBV-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.43
Rot. Bonds5

About N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide

N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide (PubChem CID 5176067) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide
PubChem CID5176067
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC NameN-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide
SMILESCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C22H33N5O2/c1-8-26(20(29)23-16-12-10-9-11-13-16)15-19(28)24-18-14-17(21(2,3)4)25-27(18)22(5,6)7/h9-14H,8,15H2,1-7H3,(H,23,29)(H,24,28)
InChIKeyMITXQASMAKWGBV-UHFFFAOYSA-N
XLogP4.43
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide
CID 42733934
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide
CID 42733927
2-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 42733244
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide
CID 42733942
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(3-chlorophenyl)carbamoyl-ethylamino]acetamide
CID 1052579
2-[butyl(phenylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42733849
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(3,4-difluorophenyl)carbamoyl-ethylamino]acetamide
CID 1052585
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
CID 42732187
N-butyl-2-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-phenylacetamide
CID 3621663
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(3-chloro-4-fluorophenyl)carbamoyl-ethylamino]acetamide
CID 1052587
N-(1,3-ditert-butylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 1052181
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[ethyl-[(3-fluorophenyl)carbamoyl]amino]acetamide
CID 42731930

Frequently Asked Questions

What is the IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide?
The IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide (CID 5176067) is N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide.
What is the SMILES notation for N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide?
The canonical SMILES for N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide is CCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)Nc1ccccc1.
What is the InChIKey of N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide?
The InChIKey is MITXQASMAKWGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-8-26(20(29)23-16-12-10-9-11-13-16)15-19(28)24-18-14-17(21(2,3)4)25-27(18)22(5,6)7/h9-14H,8,15H2,1-7H3,(H,23,29)(H,24,28).
What are the key properties of N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide?
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide has a molecular weight of 399.54 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide is sourced from PubChem (CID 5176067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).