N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide

C11H19N3O — CID 39891339

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide
SMILESCCn1nc(C)c(NC(=O)C(C)C)c1C
InChIInChI=1S/C11H19N3O/c1-6-14-9(5)10(8(4)13-14)12-11(15)7(2)3/h7H,6H2,1-5H3,(H,12,15)
InChIKeyOHUFGTLPUBWLNW-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.11
Rot. Bonds3

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide (PubChem CID 39891339) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide
PubChem CID39891339
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide
SMILESCCn1nc(C)c(NC(=O)C(C)C)c1C
InChIInChI=1S/C11H19N3O/c1-6-14-9(5)10(8(4)13-14)12-11(15)7(2)3/h7H,6H2,1-5H3,(H,12,15)
InChIKeyOHUFGTLPUBWLNW-UHFFFAOYSA-N
XLogP2.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide (CID 39891339) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide is CCn1nc(C)c(NC(=O)C(C)C)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide?
The InChIKey is OHUFGTLPUBWLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-6-14-9(5)10(8(4)13-14)12-11(15)7(2)3/h7H,6H2,1-5H3,(H,12,15).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide has a molecular weight of 209.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanamide is sourced from PubChem (CID 39891339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).