N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide

C23H35N5O2 — CID 42733934

IUPACN-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H35N5O2/c1-9-27(21(30)24-17-12-10-16(2)11-13-17)15-20(29)25-19-14-18(22(3,4)5)26-28(19)23(6,7)8/h10-14H,9,15H2,1-8H3,(H,24,30)(H,25,29)
InChIKeyXLBUDQZFNUIVQL-UHFFFAOYSA-N
MW413.57 g/mol
LogP4.74
Rot. Bonds5

About N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide

N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide (PubChem CID 42733934) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide
PubChem CID42733934
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC NameN-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H35N5O2/c1-9-27(21(30)24-17-12-10-16(2)11-13-17)15-20(29)25-19-14-18(22(3,4)5)26-28(19)23(6,7)8/h10-14H,9,15H2,1-8H3,(H,24,30)(H,25,29)
InChIKeyXLBUDQZFNUIVQL-UHFFFAOYSA-N
XLogP4.74
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(phenylcarbamoyl)amino]acetamide
CID 5176067
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl(ethylcarbamoyl)amino]acetamide
CID 42733927
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-difluorophenyl)carbamoyl-ethylamino]acetamide
CID 42733942
1-(1,3-ditert-butylpyrazol-5-yl)-3-(4-methylphenyl)urea
CID 770901
2-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 42733244
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dimethyl-N-propylpropanamide
CID 42732187
2-[butyl-[(4-methylphenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide
CID 5024389
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[3-methoxypropyl-[(4-methylphenyl)carbamoyl]amino]acetamide
CID 4233561
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(4-chlorophenyl)carbamoyl-ethylamino]acetamide
CID 42734079
2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide
CID 1052755
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(4-methylphenyl)carbamoyl]amino]acetamide
CID 42735900
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(4-ethoxyphenyl)carbamoyl-ethylamino]acetamide
CID 1062165

Frequently Asked Questions

What is the IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide?
The IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide (CID 42733934) is N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide.
What is the SMILES notation for N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide?
The canonical SMILES for N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide is CCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide?
The InChIKey is XLBUDQZFNUIVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-9-27(21(30)24-17-12-10-16(2)11-13-17)15-20(29)25-19-14-18(22(3,4)5)26-28(19)23(6,7)8/h10-14H,9,15H2,1-8H3,(H,24,30)(H,25,29).
What are the key properties of N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide?
N-(1,3-ditert-butylpyrazol-5-yl)-2-[ethyl-[(4-methylphenyl)carbamoyl]amino]acetamide has a molecular weight of 413.57 g/mol, XLogP of 4.74, 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-[(4-methylphenyl)carbamoyl]amino]acetamide is sourced from PubChem (CID 42733934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).