2-(1,3-dipentylpyrazol-4-yl)acetic acid

C15H26N2O2 — CID 67746271

IUPAC2-(1,3-dipentylpyrazol-4-yl)acetic acid
SMILESCCCCCc1nn(CCCCC)cc1CC(=O)O
InChIInChI=1S/C15H26N2O2/c1-3-5-7-9-14-13(11-15(18)19)12-17(16-14)10-8-6-4-2/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyDIEYRHGEAHVTFX-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.43
Rot. Bonds10

About 2-(1,3-dipentylpyrazol-4-yl)acetic acid

2-(1,3-dipentylpyrazol-4-yl)acetic acid (PubChem CID 67746271) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(1,3-dipentylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dipentylpyrazol-4-yl)acetic acid
PubChem CID67746271
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-(1,3-dipentylpyrazol-4-yl)acetic acid
SMILESCCCCCc1nn(CCCCC)cc1CC(=O)O
InChIInChI=1S/C15H26N2O2/c1-3-5-7-9-14-13(11-15(18)19)12-17(16-14)10-8-6-4-2/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyDIEYRHGEAHVTFX-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dipentylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1,3-dipentylpyrazol-4-yl)acetic acid (CID 67746271) is 2-(1,3-dipentylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dipentylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1,3-dipentylpyrazol-4-yl)acetic acid is CCCCCc1nn(CCCCC)cc1CC(=O)O.
What is the InChIKey of 2-(1,3-dipentylpyrazol-4-yl)acetic acid?
The InChIKey is DIEYRHGEAHVTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-5-7-9-14-13(11-15(18)19)12-17(16-14)10-8-6-4-2/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-(1,3-dipentylpyrazol-4-yl)acetic acid?
2-(1,3-dipentylpyrazol-4-yl)acetic acid has a molecular weight of 266.38 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dipentylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 67746271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).