3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide

C11H19N3O — CID 63822309

IUPAC3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide
SMILESCC(CC(=O)Nc1cn[nH]c1)C(C)(C)C
InChIInChI=1S/C11H19N3O/c1-8(11(2,3)4)5-10(15)14-9-6-12-13-7-9/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyWKEGBHUPQLKZSO-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.42
Rot. Bonds3

About 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide

3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide (PubChem CID 63822309) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide.

Molecular Properties

Compound Name3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide
PubChem CID63822309
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide
SMILESCC(CC(=O)Nc1cn[nH]c1)C(C)(C)C
InChIInChI=1S/C11H19N3O/c1-8(11(2,3)4)5-10(15)14-9-6-12-13-7-9/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyWKEGBHUPQLKZSO-UHFFFAOYSA-N
XLogP2.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide 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 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide?
The IUPAC name of 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide (CID 63822309) is 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide.
What is the SMILES notation for 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide?
The canonical SMILES for 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide is CC(CC(=O)Nc1cn[nH]c1)C(C)(C)C.
What is the InChIKey of 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide?
The InChIKey is WKEGBHUPQLKZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(11(2,3)4)5-10(15)14-9-6-12-13-7-9/h6-8H,5H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide?
3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide has a molecular weight of 209.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-N-(1H-pyrazol-4-yl)pentanamide is sourced from PubChem (CID 63822309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).