3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid

C15H25N3O2 — CID 65054538

IUPAC3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid
SMILESCCn1nc(C)c(C(C)N(CCC(=O)O)C2CC2)c1C
InChIInChI=1S/C15H25N3O2/c1-5-18-12(4)15(10(2)16-18)11(3)17(13-6-7-13)9-8-14(19)20/h11,13H,5-9H2,1-4H3,(H,19,20)
InChIKeyARANGRATHCHZSF-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.52
Rot. Bonds7

About 3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid

3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid (PubChem CID 65054538) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid
PubChem CID65054538
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid
SMILESCCn1nc(C)c(C(C)N(CCC(=O)O)C2CC2)c1C
InChIInChI=1S/C15H25N3O2/c1-5-18-12(4)15(10(2)16-18)11(3)17(13-6-7-13)9-8-14(19)20/h11,13H,5-9H2,1-4H3,(H,19,20)
InChIKeyARANGRATHCHZSF-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid (CID 65054538) is 3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid is CCn1nc(C)c(C(C)N(CCC(=O)O)C2CC2)c1C.
What is the InChIKey of 3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid?
The InChIKey is ARANGRATHCHZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-18-12(4)15(10(2)16-18)11(3)17(13-6-7-13)9-8-14(19)20/h11,13H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid?
3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid has a molecular weight of 279.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]amino]propanoic acid is sourced from PubChem (CID 65054538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).