3-methyl-N-(2-methylpyrazol-3-yl)butanamide

C9H15N3O — CID 110470693

IUPAC3-methyl-N-(2-methylpyrazol-3-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C
InChIInChI=1S/C9H15N3O/c1-7(2)6-9(13)11-8-4-5-10-12(8)3/h4-5,7H,6H2,1-3H3,(H,11,13)
InChIKeyHTUWCFOUDTYZQL-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.40
Rot. Bonds3

About 3-methyl-N-(2-methylpyrazol-3-yl)butanamide

3-methyl-N-(2-methylpyrazol-3-yl)butanamide (PubChem CID 110470693) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpyrazol-3-yl)butanamide
PubChem CID110470693
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-methyl-N-(2-methylpyrazol-3-yl)butanamide
SMILESCC(C)CC(=O)Nc1ccnn1C
InChIInChI=1S/C9H15N3O/c1-7(2)6-9(13)11-8-4-5-10-12(8)3/h4-5,7H,6H2,1-3H3,(H,11,13)
InChIKeyHTUWCFOUDTYZQL-UHFFFAOYSA-N
XLogP1.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(2-methylpyrazol-3-yl)acetamide
CID 110470519
N-(2-methylpyrazol-3-yl)-2-pyridin-4-ylacetamide
CID 112536624
N-(2-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958469
2-(tert-butylamino)-N-(2-methylpyrazol-3-yl)acetamide
CID 78923711
7-amino-N-(2-methylpyrazol-3-yl)heptanamide
CID 119708048
4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 80543787
3-[(2-methylpyrazol-3-yl)amino]butanamide
CID 115921263
2-hydroxy-2-methyl-N-(2-methylpyrazol-3-yl)propanamide
CID 103429823
methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate
CID 112617047
2-(4-methylimidazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 46983131
2-(2-methoxyphenyl)-N-(2-methylpyrazol-3-yl)acetamide
CID 112536636
3-amino-N-(2-ethylpyrazol-3-yl)butanamide
CID 130878664

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpyrazol-3-yl)butanamide?
The IUPAC name of 3-methyl-N-(2-methylpyrazol-3-yl)butanamide (CID 110470693) is 3-methyl-N-(2-methylpyrazol-3-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(2-methylpyrazol-3-yl)butanamide?
The canonical SMILES for 3-methyl-N-(2-methylpyrazol-3-yl)butanamide is CC(C)CC(=O)Nc1ccnn1C.
What is the InChIKey of 3-methyl-N-(2-methylpyrazol-3-yl)butanamide?
The InChIKey is HTUWCFOUDTYZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)6-9(13)11-8-4-5-10-12(8)3/h4-5,7H,6H2,1-3H3,(H,11,13).
What are the key properties of 3-methyl-N-(2-methylpyrazol-3-yl)butanamide?
3-methyl-N-(2-methylpyrazol-3-yl)butanamide has a molecular weight of 181.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpyrazol-3-yl)butanamide is sourced from PubChem (CID 110470693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).