2-(3,5-diamino-1-cyclopentylpyrazol-4-yl)acetic acid

C10H16N4O2 — CID 117123275

IUPAC2-(3,5-diamino-1-cyclopentylpyrazol-4-yl)acetic acid
SMILESNc1nn(C2CCCC2)c(N)c1CC(=O)O
InChIInChI=1S/C10H16N4O2/c11-9-7(5-8(15)16)10(12)14(13-9)6-3-1-2-4-6/h6H,1-5,12H2,(H2,11,13)(H,15,16)
InChIKeyHEDUZVPCZPTJFB-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.79
Rot. Bonds3

About 2-(3,5-diamino-1-cyclopentylpyrazol-4-yl)acetic acid

2-(3,5-diamino-1-cyclopentylpyrazol-4-yl)acetic acid (PubChem CID 117123275) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3,5-diamino-1-cyclopentylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-diamino-1-cyclopentylpyrazol-4-yl)acetic acid
PubChem CID117123275
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(3,5-diamino-1-cyclopentylpyrazol-4-yl)acetic acid
SMILESNc1nn(C2CCCC2)c(N)c1CC(=O)O
InChIInChI=1S/C10H16N4O2/c11-9-7(5-8(15)16)10(12)14(13-9)6-3-1-2-4-6/h6H,1-5,12H2,(H2,11,13)(H,15,16)
InChIKeyHEDUZVPCZPTJFB-UHFFFAOYSA-N
XLogP0.79
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diamino-1-cyclopentylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(3,5-diamino-1-cyclopentylpyrazol-4-yl)acetic acid (CID 117123275) is 2-(3,5-diamino-1-cyclopentylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3,5-diamino-1-cyclopentylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(3,5-diamino-1-cyclopentylpyrazol-4-yl)acetic acid is Nc1nn(C2CCCC2)c(N)c1CC(=O)O.
What is the InChIKey of 2-(3,5-diamino-1-cyclopentylpyrazol-4-yl)acetic acid?
The InChIKey is HEDUZVPCZPTJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-9-7(5-8(15)16)10(12)14(13-9)6-3-1-2-4-6/h6H,1-5,12H2,(H2,11,13)(H,15,16).
What are the key properties of 2-(3,5-diamino-1-cyclopentylpyrazol-4-yl)acetic acid?
2-(3,5-diamino-1-cyclopentylpyrazol-4-yl)acetic acid has a molecular weight of 224.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diamino-1-cyclopentylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 117123275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).