3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide

C12H21N3O — CID 45147216

IUPAC3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
SMILESCC(NC(=O)CC(C)(C)C)c1cnn(C)c1
InChIInChI=1S/C12H21N3O/c1-9(10-7-13-15(5)8-10)14-11(16)6-12(2,3)4/h7-9H,6H2,1-5H3,(H,14,16)
InChIKeyAEXDJYZSZKSYNW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.03
Rot. Bonds3

About 3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide

3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide (PubChem CID 45147216) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
PubChem CID45147216
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
SMILESCC(NC(=O)CC(C)(C)C)c1cnn(C)c1
InChIInChI=1S/C12H21N3O/c1-9(10-7-13-15(5)8-10)14-11(16)6-12(2,3)4/h7-9H,6H2,1-5H3,(H,14,16)
InChIKeyAEXDJYZSZKSYNW-UHFFFAOYSA-N
XLogP2.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97241002
(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 97108887
2-methyl-2-[methyl-[1-(1-methylpyrazol-4-yl)ethylcarbamoyl]amino]propanoic acid
CID 114189000
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 97347944
N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 124567895
2-[(2S)-1,4-dithian-2-yl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97239921
1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507032
N-(2-aminoethyl)-N'-[1-(1-methylpyrazol-4-yl)ethyl]oxamide
CID 114286312
1-(1-methylpyrazol-4-yl)ethylthiourea
CID 130520619
2-[3-[1-(1-methylpyrazol-4-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 120550055

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide (CID 45147216) is 3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide is CC(NC(=O)CC(C)(C)C)c1cnn(C)c1.
What is the InChIKey of 3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide?
The InChIKey is AEXDJYZSZKSYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(10-7-13-15(5)8-10)14-11(16)6-12(2,3)4/h7-9H,6H2,1-5H3,(H,14,16).
What are the key properties of 3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide?
3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide has a molecular weight of 223.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 45147216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).