N-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide

C17H23N3O3 — CID 162648969

IUPACN-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(C(C)(C)C)c2)cc1OC
InChIInChI=1S/C17H23N3O3/c1-17(2,3)20-11-13(10-18-20)19-16(21)9-12-6-7-14(22-4)15(8-12)23-5/h6-8,10-11H,9H2,1-5H3,(H,19,21)
InChIKeyBMGRRZRBOAQIFD-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.84
Rot. Bonds5

About N-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide

N-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 162648969) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID162648969
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cnn(C(C)(C)C)c2)cc1OC
InChIInChI=1S/C17H23N3O3/c1-17(2,3)20-11-13(10-18-20)19-16(21)9-12-6-7-14(22-4)15(8-12)23-5/h6-8,10-11H,9H2,1-5H3,(H,19,21)
InChIKeyBMGRRZRBOAQIFD-UHFFFAOYSA-N
XLogP2.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide (CID 162648969) is N-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cnn(C(C)(C)C)c2)cc1OC.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is BMGRRZRBOAQIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)20-11-13(10-18-20)19-16(21)9-12-6-7-14(22-4)15(8-12)23-5/h6-8,10-11H,9H2,1-5H3,(H,19,21).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 162648969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).