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

C9H16N4O — CID 80543787

IUPAC4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide
SMILESCC(CCN)C(=O)Nc1ccnn1C
InChIInChI=1S/C9H16N4O/c1-7(3-5-10)9(14)12-8-4-6-11-13(8)2/h4,6-7H,3,5,10H2,1-2H3,(H,12,14)
InChIKeyKTCHMZBPVMEQFV-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.34
Rot. Bonds4

About 4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide

4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide (PubChem CID 80543787) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide
PubChem CID80543787
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide
SMILESCC(CCN)C(=O)Nc1ccnn1C
InChIInChI=1S/C9H16N4O/c1-7(3-5-10)9(14)12-8-4-6-11-13(8)2/h4,6-7H,3,5,10H2,1-2H3,(H,12,14)
InChIKeyKTCHMZBPVMEQFV-UHFFFAOYSA-N
XLogP0.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 110470693
7-amino-N-(2-methylpyrazol-3-yl)heptanamide
CID 119708048
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide
CID 104905050
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
3-[(2-methylpyrazol-3-yl)amino]butanamide
CID 115921263
1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea
CID 130637088
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126
2-methoxy-N-(2-methylpyrazol-3-yl)acetamide
CID 110470519
2-hydroxy-2-methyl-N-(2-methylpyrazol-3-yl)propanamide
CID 103429823
methyl 2-[(2-methylpyrazol-3-yl)amino]-2-oxoacetate
CID 112617047
N-(4-acetylphenyl)-4-amino-2-methylbutanamide
CID 80543884
N-(2-methylpyrazol-3-yl)-2-pyridin-4-ylacetamide
CID 112536624

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide?
The IUPAC name of 4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide (CID 80543787) is 4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide?
The canonical SMILES for 4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide is CC(CCN)C(=O)Nc1ccnn1C.
What is the InChIKey of 4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide?
The InChIKey is KTCHMZBPVMEQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(3-5-10)9(14)12-8-4-6-11-13(8)2/h4,6-7H,3,5,10H2,1-2H3,(H,12,14).
What are the key properties of 4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide?
4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide has a molecular weight of 196.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(2-methylpyrazol-3-yl)butanamide is sourced from PubChem (CID 80543787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).