5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine

C12H14FN3O — CID 55146147

IUPAC5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
SMILESCOCCNc1cc(-c2ccccc2F)[nH]n1
InChIInChI=1S/C12H14FN3O/c1-17-7-6-14-12-8-11(15-16-12)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H2,14,15,16)
InChIKeyWLLCAZYDKHMCRE-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.27
Rot. Bonds5

About 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine

5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine (PubChem CID 55146147) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
PubChem CID55146147
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
SMILESCOCCNc1cc(-c2ccccc2F)[nH]n1
InChIInChI=1S/C12H14FN3O/c1-17-7-6-14-12-8-11(15-16-12)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H2,14,15,16)
InChIKeyWLLCAZYDKHMCRE-UHFFFAOYSA-N
XLogP2.27
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.27
H-Bond Donors ≤ 52
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 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine (CID 55146147) is 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine is COCCNc1cc(-c2ccccc2F)[nH]n1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
The InChIKey is WLLCAZYDKHMCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-17-7-6-14-12-8-11(15-16-12)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H2,14,15,16).
What are the key properties of 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine?
5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine has a molecular weight of 235.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 55146147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).