1-[3-[(2-fluorophenyl)methoxy]propyl]pyrazol-3-amine

C13H16FN3O — CID 63933866

IUPAC1-[3-[(2-fluorophenyl)methoxy]propyl]pyrazol-3-amine
SMILESNc1ccn(CCCOCc2ccccc2F)n1
InChIInChI=1S/C13H16FN3O/c14-12-5-2-1-4-11(12)10-18-9-3-7-17-8-6-13(15)16-17/h1-2,4-6,8H,3,7,9-10H2,(H2,15,16)
InChIKeyGMJNRVRINYTXOR-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.21
Rot. Bonds6

About 1-[3-[(2-fluorophenyl)methoxy]propyl]pyrazol-3-amine

1-[3-[(2-fluorophenyl)methoxy]propyl]pyrazol-3-amine (PubChem CID 63933866) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[3-[(2-fluorophenyl)methoxy]propyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-[(2-fluorophenyl)methoxy]propyl]pyrazol-3-amine
PubChem CID63933866
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-[3-[(2-fluorophenyl)methoxy]propyl]pyrazol-3-amine
SMILESNc1ccn(CCCOCc2ccccc2F)n1
InChIInChI=1S/C13H16FN3O/c14-12-5-2-1-4-11(12)10-18-9-3-7-17-8-6-13(15)16-17/h1-2,4-6,8H,3,7,9-10H2,(H2,15,16)
InChIKeyGMJNRVRINYTXOR-UHFFFAOYSA-N
XLogP2.21
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[3-[(2-fluorophenyl)methoxy]propyl]pyrazol-3-amine?
The IUPAC name of 1-[3-[(2-fluorophenyl)methoxy]propyl]pyrazol-3-amine (CID 63933866) is 1-[3-[(2-fluorophenyl)methoxy]propyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-[(2-fluorophenyl)methoxy]propyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-[(2-fluorophenyl)methoxy]propyl]pyrazol-3-amine is Nc1ccn(CCCOCc2ccccc2F)n1.
What is the InChIKey of 1-[3-[(2-fluorophenyl)methoxy]propyl]pyrazol-3-amine?
The InChIKey is GMJNRVRINYTXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c14-12-5-2-1-4-11(12)10-18-9-3-7-17-8-6-13(15)16-17/h1-2,4-6,8H,3,7,9-10H2,(H2,15,16).
What are the key properties of 1-[3-[(2-fluorophenyl)methoxy]propyl]pyrazol-3-amine?
1-[3-[(2-fluorophenyl)methoxy]propyl]pyrazol-3-amine has a molecular weight of 249.29 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-fluorophenyl)methoxy]propyl]pyrazol-3-amine is sourced from PubChem (CID 63933866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).