5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-amine

C10H10FN3O — CID 82077414

IUPAC5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-amine
SMILESNc1cc(COc2cccc(F)c2)[nH]n1
InChIInChI=1S/C10H10FN3O/c11-7-2-1-3-9(4-7)15-6-8-5-10(12)14-13-8/h1-5H,6H2,(H3,12,13,14)
InChIKeyRIADYUVWTIYKFA-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.71
Rot. Bonds3

About 5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-amine

5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-amine (PubChem CID 82077414) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-amine
PubChem CID82077414
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-amine
SMILESNc1cc(COc2cccc(F)c2)[nH]n1
InChIInChI=1S/C10H10FN3O/c11-7-2-1-3-9(4-7)15-6-8-5-10(12)14-13-8/h1-5H,6H2,(H3,12,13,14)
InChIKeyRIADYUVWTIYKFA-UHFFFAOYSA-N
XLogP1.71
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-amine (CID 82077414) is 5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-amine is Nc1cc(COc2cccc(F)c2)[nH]n1.
What is the InChIKey of 5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-amine?
The InChIKey is RIADYUVWTIYKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-7-2-1-3-9(4-7)15-6-8-5-10(12)14-13-8/h1-5H,6H2,(H3,12,13,14).
What are the key properties of 5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-amine?
5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-amine has a molecular weight of 207.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 82077414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).