4-(2-ethoxyethyl)-5-fluoro-1H-pyrazole

C7H11FN2O — CID 172736784

IUPAC4-(2-ethoxyethyl)-5-fluoro-1H-pyrazole
SMILESCCOCCc1cn[nH]c1F
InChIInChI=1S/C7H11FN2O/c1-2-11-4-3-6-5-9-10-7(6)8/h5H,2-4H2,1H3,(H,9,10)
InChIKeyINXHGIPQNNPPAO-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.13
Rot. Bonds4

About 4-(2-ethoxyethyl)-5-fluoro-1H-pyrazole

4-(2-ethoxyethyl)-5-fluoro-1H-pyrazole (PubChem CID 172736784) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 4-(2-ethoxyethyl)-5-fluoro-1H-pyrazole.

Molecular Properties

Compound Name4-(2-ethoxyethyl)-5-fluoro-1H-pyrazole
PubChem CID172736784
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name4-(2-ethoxyethyl)-5-fluoro-1H-pyrazole
SMILESCCOCCc1cn[nH]c1F
InChIInChI=1S/C7H11FN2O/c1-2-11-4-3-6-5-9-10-7(6)8/h5H,2-4H2,1H3,(H,9,10)
InChIKeyINXHGIPQNNPPAO-UHFFFAOYSA-N
XLogP1.13
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
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 4-(2-ethoxyethyl)-5-fluoro-1H-pyrazole?
The IUPAC name of 4-(2-ethoxyethyl)-5-fluoro-1H-pyrazole (CID 172736784) is 4-(2-ethoxyethyl)-5-fluoro-1H-pyrazole.
What is the SMILES notation for 4-(2-ethoxyethyl)-5-fluoro-1H-pyrazole?
The canonical SMILES for 4-(2-ethoxyethyl)-5-fluoro-1H-pyrazole is CCOCCc1cn[nH]c1F.
What is the InChIKey of 4-(2-ethoxyethyl)-5-fluoro-1H-pyrazole?
The InChIKey is INXHGIPQNNPPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-2-11-4-3-6-5-9-10-7(6)8/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 4-(2-ethoxyethyl)-5-fluoro-1H-pyrazole?
4-(2-ethoxyethyl)-5-fluoro-1H-pyrazole has a molecular weight of 158.18 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethyl)-5-fluoro-1H-pyrazole is sourced from PubChem (CID 172736784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).