5-decyl-4-fluoro-1H-pyrazole-3-carboxylic acid

C14H23FN2O2 — CID 68850527

IUPAC5-decyl-4-fluoro-1H-pyrazole-3-carboxylic acid
SMILESCCCCCCCCCCc1[nH]nc(C(=O)O)c1F
InChIInChI=1S/C14H23FN2O2/c1-2-3-4-5-6-7-8-9-10-11-12(15)13(14(18)19)17-16-11/h2-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyPYCZRLPAPJOKLW-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.93
Rot. Bonds10

About 5-decyl-4-fluoro-1H-pyrazole-3-carboxylic acid

5-decyl-4-fluoro-1H-pyrazole-3-carboxylic acid (PubChem CID 68850527) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 5-decyl-4-fluoro-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-decyl-4-fluoro-1H-pyrazole-3-carboxylic acid
PubChem CID68850527
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name5-decyl-4-fluoro-1H-pyrazole-3-carboxylic acid
SMILESCCCCCCCCCCc1[nH]nc(C(=O)O)c1F
InChIInChI=1S/C14H23FN2O2/c1-2-3-4-5-6-7-8-9-10-11-12(15)13(14(18)19)17-16-11/h2-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyPYCZRLPAPJOKLW-UHFFFAOYSA-N
XLogP3.93
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.93
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 5-decyl-4-fluoro-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-decyl-4-fluoro-1H-pyrazole-3-carboxylic acid (CID 68850527) is 5-decyl-4-fluoro-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-decyl-4-fluoro-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-decyl-4-fluoro-1H-pyrazole-3-carboxylic acid is CCCCCCCCCCc1[nH]nc(C(=O)O)c1F.
What is the InChIKey of 5-decyl-4-fluoro-1H-pyrazole-3-carboxylic acid?
The InChIKey is PYCZRLPAPJOKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-2-3-4-5-6-7-8-9-10-11-12(15)13(14(18)19)17-16-11/h2-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-decyl-4-fluoro-1H-pyrazole-3-carboxylic acid?
5-decyl-4-fluoro-1H-pyrazole-3-carboxylic acid has a molecular weight of 270.35 g/mol, XLogP of 3.93, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-4-fluoro-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 68850527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).