N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide

C23H27N3O2 — CID 42874156

IUPACN-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2C)c1
InChIInChI=1S/C23H27N3O2/c1-15-21(24-20(27)14-16-7-6-8-19(13-16)28-5)22(26-25-15)17-9-11-18(12-10-17)23(2,3)4/h6-13H,14H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyPWISESZTGCJDEC-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.87
Rot. Bonds5

About N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide

N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 42874156) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID42874156
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2C)c1
InChIInChI=1S/C23H27N3O2/c1-15-21(24-20(27)14-16-7-6-8-19(13-16)28-5)22(26-25-15)17-9-11-18(12-10-17)23(2,3)4/h6-13H,14H2,1-5H3,(H,24,27)(H,25,26)
InChIKeyPWISESZTGCJDEC-UHFFFAOYSA-N
XLogP4.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42687579
2-(3-methoxyphenyl)-N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42686366
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47067672
N-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
CID 142699278
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685763
N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
CID 42686943
N-(5-ethyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47423285
N-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 51048605
1-(4-fluorophenyl)-3-[3-(3-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]urea
CID 42687470
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42874069
2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
CID 83280532
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43402634

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide (CID 42874156) is N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2c(-c3ccc(C(C)(C)C)cc3)n[nH]c2C)c1.
What is the InChIKey of N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is PWISESZTGCJDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15-21(24-20(27)14-16-7-6-8-19(13-16)28-5)22(26-25-15)17-9-11-18(12-10-17)23(2,3)4/h6-13H,14H2,1-5H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide?
N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 42874156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).