3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid

C11H17N3O3 — CID 119232438

IUPAC3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCC(C)n1ccc(C(=O)N(C)CCC(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-8(2)14-7-4-9(12-14)11(17)13(3)6-5-10(15)16/h4,7-8H,5-6H2,1-3H3,(H,15,16)
InChIKeyXOXQDWMGSNUNGQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.01
Rot. Bonds5

About 3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid

3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 119232438) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
PubChem CID119232438
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCC(C)n1ccc(C(=O)N(C)CCC(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-8(2)14-7-4-9(12-14)11(17)13(3)6-5-10(15)16/h4,7-8H,5-6H2,1-3H3,(H,15,16)
InChIKeyXOXQDWMGSNUNGQ-UHFFFAOYSA-N
XLogP1.01
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 60988552
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119068240
3-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64781304
ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate
CID 96539757
N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120831813
4-[3-(methylcarbamoyl)pyrazol-1-yl]pentanoic acid
CID 64779954
2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623443
2-[[2-[4-[(1-propan-2-ylpyrazole-3-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224298
N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide
CID 146088120
2-bromo-1-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 146407940
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 20586201
3-(4-fluorophenyl)-3-[(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119169568

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid (CID 119232438) is 3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid is CC(C)n1ccc(C(=O)N(C)CCC(=O)O)n1.
What is the InChIKey of 3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is XOXQDWMGSNUNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(2)14-7-4-9(12-14)11(17)13(3)6-5-10(15)16/h4,7-8H,5-6H2,1-3H3,(H,15,16).
What are the key properties of 3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid?
3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119232438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).