N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide

C13H23N3O2 — CID 103028979

IUPACN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C13H23N3O2/c1-8(2)16-10(4)11(9(3)15-16)14-12(17)13(5,6)18-7/h8H,1-7H3,(H,14,17)
InChIKeyKQUWCZNXZXJKOY-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.44
Rot. Bonds4

About N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide (PubChem CID 103028979) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide
PubChem CID103028979
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C13H23N3O2/c1-8(2)16-10(4)11(9(3)15-16)14-12(17)13(5,6)18-7/h8H,1-7H3,(H,14,17)
InChIKeyKQUWCZNXZXJKOY-UHFFFAOYSA-N
XLogP2.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide 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-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide (CID 103028979) is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1c(C)nn(C(C)C)c1C.
What is the InChIKey of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide?
The InChIKey is KQUWCZNXZXJKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-8(2)16-10(4)11(9(3)15-16)14-12(17)13(5,6)18-7/h8H,1-7H3,(H,14,17).
What are the key properties of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide?
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide has a molecular weight of 253.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103028979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).