N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide

C27H35N5O4 — CID 42734902

IUPACN-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
SMILESCOCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C27H35N5O4/c1-19-11-13-20(14-12-19)32-24(17-23(30-32)27(2,3)4)29-25(33)18-31(15-16-35-5)26(34)28-21-9-7-8-10-22(21)36-6/h7-14,17H,15-16,18H2,1-6H3,(H,28,34)(H,29,33)
InChIKeyULBYEBAHDYBMCP-UHFFFAOYSA-N
MW493.61 g/mol
LogP4.61
Rot. Bonds9

About N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide

N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide (PubChem CID 42734902) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
PubChem CID42734902
Molecular FormulaC27H35N5O4
Molecular Weight493.61 g/mol
Exact Mass493.27
IUPAC NameN-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
SMILESCOCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C27H35N5O4/c1-19-11-13-20(14-12-19)32-24(17-23(30-32)27(2,3)4)29-25(33)18-31(15-16-35-5)26(34)28-21-9-7-8-10-22(21)36-6/h7-14,17H,15-16,18H2,1-6H3,(H,28,34)(H,29,33)
InChIKeyULBYEBAHDYBMCP-UHFFFAOYSA-N
XLogP4.61
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
CID 1052783
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide
CID 4551609
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 42734900
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[(2,4-difluorophenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 42734899
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(3-methoxyphenyl)carbamoyl]amino]acetamide
CID 42734903
2-[(2-bromophenyl)carbamoyl-(3-methoxypropyl)amino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide
CID 4233725
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 3964180
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide
CID 42734793
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 4667254
N-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methylphenyl)carbamoyl]amino]acetamide
CID 3642057
N-[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]-2-[(2,3-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]acetamide
CID 3931318
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[3-methoxypropyl-[(4-methylphenyl)carbamoyl]amino]acetamide
CID 4233561

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide?
The IUPAC name of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide (CID 42734902) is N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide is COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1)C(=O)Nc1ccccc1OC.
What is the InChIKey of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide?
The InChIKey is ULBYEBAHDYBMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-19-11-13-20(14-12-19)32-24(17-23(30-32)27(2,3)4)29-25(33)18-31(15-16-35-5)26(34)28-21-9-7-8-10-22(21)36-6/h7-14,17H,15-16,18H2,1-6H3,(H,28,34)(H,29,33).
What are the key properties of N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide?
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide has a molecular weight of 493.61 g/mol, XLogP of 4.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide is sourced from PubChem (CID 42734902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).