3-[(2-methylpyrazol-3-yl)amino]butanamide

C8H14N4O — CID 115921263

IUPAC3-[(2-methylpyrazol-3-yl)amino]butanamide
SMILESCC(CC(N)=O)Nc1ccnn1C
InChIInChI=1S/C8H14N4O/c1-6(5-7(9)13)11-8-3-4-10-12(8)2/h3-4,6,11H,5H2,1-2H3,(H2,9,13)
InChIKeyWZWJEUKDJSXBOV-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.10
Rot. Bonds4

About 3-[(2-methylpyrazol-3-yl)amino]butanamide

3-[(2-methylpyrazol-3-yl)amino]butanamide (PubChem CID 115921263) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-[(2-methylpyrazol-3-yl)amino]butanamide.

Molecular Properties

Compound Name3-[(2-methylpyrazol-3-yl)amino]butanamide
PubChem CID115921263
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-[(2-methylpyrazol-3-yl)amino]butanamide
SMILESCC(CC(N)=O)Nc1ccnn1C
InChIInChI=1S/C8H14N4O/c1-6(5-7(9)13)11-8-3-4-10-12(8)2/h3-4,6,11H,5H2,1-2H3,(H2,9,13)
InChIKeyWZWJEUKDJSXBOV-UHFFFAOYSA-N
XLogP0.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 110470693
N-heptan-2-yl-2-methylpyrazol-3-amine
CID 115921288
3-[(3-propan-2-yl-2-pyridinyl)amino]butanamide
CID 144912549
4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 80543787
3-[(4-bromo-2-pyridinyl)amino]butanamide
CID 130671461
4-[1-(2-methylpyrazol-3-yl)ethylamino]butanamide
CID 106757536
N-[1-(2-methylpyrazol-3-yl)propan-2-yl]acetamide
CID 175743887
3-[(6-fluoro-3-pyridinyl)amino]butanamide
CID 126988107
2-methyl-N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
CID 103542631
3-[(5-bromo-2-pyridinyl)amino]butanamide
CID 115684979
3-(2-pyrazol-1-ylethylamino)butanamide
CID 115676497
3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]butanamide
CID 113344409

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrazol-3-yl)amino]butanamide?
The IUPAC name of 3-[(2-methylpyrazol-3-yl)amino]butanamide (CID 115921263) is 3-[(2-methylpyrazol-3-yl)amino]butanamide.
What is the SMILES notation for 3-[(2-methylpyrazol-3-yl)amino]butanamide?
The canonical SMILES for 3-[(2-methylpyrazol-3-yl)amino]butanamide is CC(CC(N)=O)Nc1ccnn1C.
What is the InChIKey of 3-[(2-methylpyrazol-3-yl)amino]butanamide?
The InChIKey is WZWJEUKDJSXBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(5-7(9)13)11-8-3-4-10-12(8)2/h3-4,6,11H,5H2,1-2H3,(H2,9,13).
What are the key properties of 3-[(2-methylpyrazol-3-yl)amino]butanamide?
3-[(2-methylpyrazol-3-yl)amino]butanamide has a molecular weight of 182.23 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrazol-3-yl)amino]butanamide is sourced from PubChem (CID 115921263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).