3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid

C11H18N4O2 — CID 117123276

IUPAC3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid
SMILESNc1nn(C2CCCC2)c(N)c1CCC(=O)O
InChIInChI=1S/C11H18N4O2/c12-10-8(5-6-9(16)17)11(13)15(14-10)7-3-1-2-4-7/h7H,1-6,13H2,(H2,12,14)(H,16,17)
InChIKeyCKYIAKIEFDQHEB-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.18
Rot. Bonds4

About 3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid

3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid (PubChem CID 117123276) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid
PubChem CID117123276
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid
SMILESNc1nn(C2CCCC2)c(N)c1CCC(=O)O
InChIInChI=1S/C11H18N4O2/c12-10-8(5-6-9(16)17)11(13)15(14-10)7-3-1-2-4-7/h7H,1-6,13H2,(H2,12,14)(H,16,17)
InChIKeyCKYIAKIEFDQHEB-UHFFFAOYSA-N
XLogP1.18
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid (CID 117123276) is 3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid is Nc1nn(C2CCCC2)c(N)c1CCC(=O)O.
What is the InChIKey of 3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid?
The InChIKey is CKYIAKIEFDQHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-10-8(5-6-9(16)17)11(13)15(14-10)7-3-1-2-4-7/h7H,1-6,13H2,(H2,12,14)(H,16,17).
What are the key properties of 3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid?
3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid has a molecular weight of 238.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 117123276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).