4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide

C16H21N3O — CID 10038843

IUPAC4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)n(C)n1
InChIInChI=1S/C16H21N3O/c1-11-10-14(19(5)18-11)17-15(20)12-6-8-13(9-7-12)16(2,3)4/h6-10H,1-5H3,(H,17,20)
InChIKeyIZFSIGPQLXSZCB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.28
Rot. Bonds2

About 4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide

4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide (PubChem CID 10038843) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
PubChem CID10038843
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)n(C)n1
InChIInChI=1S/C16H21N3O/c1-11-10-14(19(5)18-11)17-15(20)12-6-8-13(9-7-12)16(2,3)4/h6-10H,1-5H3,(H,17,20)
InChIKeyIZFSIGPQLXSZCB-UHFFFAOYSA-N
XLogP3.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide 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

4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide
CID 16784587
N-(2,5-dimethylpyrazol-3-yl)-4-propan-2-yloxybenzamide
CID 45284563
4-tert-butyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870128
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
CID 35291217
N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614459
N-(2,5-dimethylpyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 110470794
N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474771
N-(2,5-dimethylpyrazol-3-yl)-1H-indazole-6-carboxamide
CID 62907185
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46412653
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325652
N-(2,5-dimethylpyrazol-3-yl)-3-fluoro-4-nitrobenzamide
CID 62680904

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide (CID 10038843) is 4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)n(C)n1.
What is the InChIKey of 4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The InChIKey is IZFSIGPQLXSZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-10-14(19(5)18-11)17-15(20)12-6-8-13(9-7-12)16(2,3)4/h6-10H,1-5H3,(H,17,20).
What are the key properties of 4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide?
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide has a molecular weight of 271.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide is sourced from PubChem (CID 10038843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).