2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid

C12H19N3O3 — CID 119209552

IUPAC2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCC(C)c1cc(C(=O)N(C)C(C)C(=O)O)nn1C
InChIInChI=1S/C12H19N3O3/c1-7(2)10-6-9(13-15(10)5)11(16)14(4)8(3)12(17)18/h6-8H,1-5H3,(H,17,18)
InChIKeyHFQJMZVUFDOPEF-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.09
Rot. Bonds4

About 2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid

2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 119209552) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
PubChem CID119209552
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCC(C)c1cc(C(=O)N(C)C(C)C(=O)O)nn1C
InChIInChI=1S/C12H19N3O3/c1-7(2)10-6-9(13-15(10)5)11(16)14(4)8(3)12(17)18/h6-8H,1-5H3,(H,17,18)
InChIKeyHFQJMZVUFDOPEF-UHFFFAOYSA-N
XLogP1.09
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162665461
methyl (2R)-2-[(5-tert-butyl-1-pentylpyrazole-3-carbonyl)amino]-3,3-dimethylbutanoate
CID 162667765
methyl (2S)-2-[(5-tert-butyl-1-pentylpyrazole-3-carbonyl)amino]-3-methylbutanoate
CID 162668127
1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
CID 162668450
5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
CID 162669636
5-tert-butyl-1-hexyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
CID 162670735
3-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-5-carboxamide
CID 162671856
N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide
CID 162672197
methyl (2R)-2-[(5-tert-butyl-1-pentylpyrazole-3-carbonyl)amino]-3-methylbutanoate
CID 162672230
5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
CID 162673453
5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-propylpyrazole-3-carboxamide
CID 162676388
5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
CID 162676655

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid (CID 119209552) is 2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid is CC(C)c1cc(C(=O)N(C)C(C)C(=O)O)nn1C.
What is the InChIKey of 2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is HFQJMZVUFDOPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7(2)10-6-9(13-15(10)5)11(16)14(4)8(3)12(17)18/h6-8H,1-5H3,(H,17,18).
What are the key properties of 2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid?
2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119209552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).