N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide

C12H21N3O — CID 10987879

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C12H21N3O/c1-11(2,3)8-7-9(15-14-8)13-10(16)12(4,5)6/h7H,1-6H3,(H2,13,14,15,16)
InChIKeyBFLNZJOMWNGZKB-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.69
Rot. Bonds1

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide (PubChem CID 10987879) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide
PubChem CID10987879
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C12H21N3O/c1-11(2,3)8-7-9(15-14-8)13-10(16)12(4,5)6/h7H,1-6H3,(H2,13,14,15,16)
InChIKeyBFLNZJOMWNGZKB-UHFFFAOYSA-N
XLogP2.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide 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-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide (CID 10987879) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide?
The InChIKey is BFLNZJOMWNGZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-11(2,3)8-7-9(15-14-8)13-10(16)12(4,5)6/h7H,1-6H3,(H2,13,14,15,16).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide has a molecular weight of 223.32 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 10987879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).