12-(1H-pyrazol-5-yl)dodecanoic acid

C15H26N2O2 — CID 57234477

IUPAC12-(1H-pyrazol-5-yl)dodecanoic acid
SMILESO=C(O)CCCCCCCCCCCc1ccn[nH]1
InChIInChI=1S/C15H26N2O2/c18-15(19)11-9-7-5-3-1-2-4-6-8-10-14-12-13-16-17-14/h12-13H,1-11H2,(H,16,17)(H,18,19)
InChIKeyBQTBRQAFMFJOET-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.94
Rot. Bonds12

About 12-(1H-pyrazol-5-yl)dodecanoic acid

12-(1H-pyrazol-5-yl)dodecanoic acid (PubChem CID 57234477) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 12-(1H-pyrazol-5-yl)dodecanoic acid.

Molecular Properties

Compound Name12-(1H-pyrazol-5-yl)dodecanoic acid
PubChem CID57234477
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name12-(1H-pyrazol-5-yl)dodecanoic acid
SMILESO=C(O)CCCCCCCCCCCc1ccn[nH]1
InChIInChI=1S/C15H26N2O2/c18-15(19)11-9-7-5-3-1-2-4-6-8-10-14-12-13-16-17-14/h12-13H,1-11H2,(H,16,17)(H,18,19)
InChIKeyBQTBRQAFMFJOET-UHFFFAOYSA-N
XLogP3.94
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 12-(1H-pyrazol-5-yl)dodecanoic acid?
The IUPAC name of 12-(1H-pyrazol-5-yl)dodecanoic acid (CID 57234477) is 12-(1H-pyrazol-5-yl)dodecanoic acid.
What is the SMILES notation for 12-(1H-pyrazol-5-yl)dodecanoic acid?
The canonical SMILES for 12-(1H-pyrazol-5-yl)dodecanoic acid is O=C(O)CCCCCCCCCCCc1ccn[nH]1.
What is the InChIKey of 12-(1H-pyrazol-5-yl)dodecanoic acid?
The InChIKey is BQTBRQAFMFJOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-15(19)11-9-7-5-3-1-2-4-6-8-10-14-12-13-16-17-14/h12-13H,1-11H2,(H,16,17)(H,18,19).
What are the key properties of 12-(1H-pyrazol-5-yl)dodecanoic acid?
12-(1H-pyrazol-5-yl)dodecanoic acid has a molecular weight of 266.38 g/mol, XLogP of 3.94, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(1H-pyrazol-5-yl)dodecanoic acid is sourced from PubChem (CID 57234477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).