3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid

C10H15N3O3 — CID 110836645

IUPAC3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1cc(CC(=O)N(C)CCC(=O)O)n[nH]1
InChIInChI=1S/C10H15N3O3/c1-7-5-8(12-11-7)6-9(14)13(2)4-3-10(15)16/h5H,3-4,6H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyWPMXKZFTOOYWJU-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.19
Rot. Bonds5

About 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid

3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 110836645) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid
PubChem CID110836645
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid
SMILESCc1cc(CC(=O)N(C)CCC(=O)O)n[nH]1
InChIInChI=1S/C10H15N3O3/c1-7-5-8(12-11-7)6-9(14)13(2)4-3-10(15)16/h5H,3-4,6H2,1-2H3,(H,11,12)(H,15,16)
InChIKeyWPMXKZFTOOYWJU-UHFFFAOYSA-N
XLogP0.19
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 58166088
1-(aziridin-1-yl)-2-(5-methyl-1H-pyrazol-3-yl)ethanone
CID 130643669
2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]ethanol
CID 115879591
4-[[2-(3,5-dimethylphenyl)acetyl]-methylamino]butanoic acid
CID 110834563
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 154513358
1-[(3S)-3-hydroxy-3-phenylpropyl]-1-methyl-3-[(5-methyl-1H-pyrazol-3-yl)methyl]urea
CID 126439318
4-(5-methyl-1H-pyrazol-3-yl)butan-2-one
CID 82417105
N-methyl-3-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 171550481
3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 110835367
3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid
CID 107147133
3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]propanoic acid
CID 120586281
3-[[2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)acetyl]-methylamino]propanoic acid
CID 119362699

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid (CID 110836645) is 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid is Cc1cc(CC(=O)N(C)CCC(=O)O)n[nH]1.
What is the InChIKey of 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is WPMXKZFTOOYWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-5-8(12-11-7)6-9(14)13(2)4-3-10(15)16/h5H,3-4,6H2,1-2H3,(H,11,12)(H,15,16).
What are the key properties of 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid?
3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 110836645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).