3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid

C12H17N3O3 — CID 113263189

IUPAC3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)N(CCC(=O)O)C2CC2)nn1C
InChIInChI=1S/C12H17N3O3/c1-8-7-10(13-14(8)2)12(18)15(9-3-4-9)6-5-11(16)17/h7,9H,3-6H2,1-2H3,(H,16,17)
InChIKeyJOIAFZXOQAWEQA-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.81
Rot. Bonds5

About 3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid

3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 113263189) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid
PubChem CID113263189
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)N(CCC(=O)O)C2CC2)nn1C
InChIInChI=1S/C12H17N3O3/c1-8-7-10(13-14(8)2)12(18)15(9-3-4-9)6-5-11(16)17/h7,9H,3-6H2,1-2H3,(H,16,17)
InChIKeyJOIAFZXOQAWEQA-UHFFFAOYSA-N
XLogP0.81
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid (CID 113263189) is 3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid is Cc1cc(C(=O)N(CCC(=O)O)C2CC2)nn1C.
What is the InChIKey of 3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is JOIAFZXOQAWEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-7-10(13-14(8)2)12(18)15(9-3-4-9)6-5-11(16)17/h7,9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid?
3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 251.29 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(1,5-dimethylpyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 113263189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).