N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide

C11H19N3O — CID 35276265

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
SMILESCCn1cc(CNC(=O)CC(C)C)cn1
InChIInChI=1S/C11H19N3O/c1-4-14-8-10(7-13-14)6-12-11(15)5-9(2)3/h7-9H,4-6H2,1-3H3,(H,12,15)
InChIKeyMUWZPNDJYNRFJC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.57
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide

N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide (PubChem CID 35276265) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
PubChem CID35276265
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
SMILESCCn1cc(CNC(=O)CC(C)C)cn1
InChIInChI=1S/C11H19N3O/c1-4-14-8-10(7-13-14)6-12-11(15)5-9(2)3/h7-9H,4-6H2,1-3H3,(H,12,15)
InChIKeyMUWZPNDJYNRFJC-UHFFFAOYSA-N
XLogP1.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide 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-ethylpyrazol-4-yl)methyl]-3-methylbutanamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide (CID 35276265) is N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide is CCn1cc(CNC(=O)CC(C)C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide?
The InChIKey is MUWZPNDJYNRFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-14-8-10(7-13-14)6-12-11(15)5-9(2)3/h7-9H,4-6H2,1-3H3,(H,12,15).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide?
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide has a molecular weight of 209.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 35276265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).