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

C10H10FN3O — CID 19618305

IUPAC1-[(3-fluorophenoxy)methyl]pyrazol-3-amine
SMILESNc1ccn(COc2cccc(F)c2)n1
InChIInChI=1S/C10H10FN3O/c11-8-2-1-3-9(6-8)15-7-14-5-4-10(12)13-14/h1-6H,7H2,(H2,12,13)
InChIKeyAQGIJWDXRJDBJD-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.64
Rot. Bonds3

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

1-[(3-fluorophenoxy)methyl]pyrazol-3-amine (PubChem CID 19618305) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 1-[(3-fluorophenoxy)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[(3-fluorophenoxy)methyl]pyrazol-3-amine
PubChem CID19618305
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name1-[(3-fluorophenoxy)methyl]pyrazol-3-amine
SMILESNc1ccn(COc2cccc(F)c2)n1
InChIInChI=1S/C10H10FN3O/c11-8-2-1-3-9(6-8)15-7-14-5-4-10(12)13-14/h1-6H,7H2,(H2,12,13)
InChIKeyAQGIJWDXRJDBJD-UHFFFAOYSA-N
XLogP1.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenoxy)methyl]pyrazol-3-amine?
The IUPAC name of 1-[(3-fluorophenoxy)methyl]pyrazol-3-amine (CID 19618305) is 1-[(3-fluorophenoxy)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-[(3-fluorophenoxy)methyl]pyrazol-3-amine?
The canonical SMILES for 1-[(3-fluorophenoxy)methyl]pyrazol-3-amine is Nc1ccn(COc2cccc(F)c2)n1.
What is the InChIKey of 1-[(3-fluorophenoxy)methyl]pyrazol-3-amine?
The InChIKey is AQGIJWDXRJDBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-8-2-1-3-9(6-8)15-7-14-5-4-10(12)13-14/h1-6H,7H2,(H2,12,13).
What are the key properties of 1-[(3-fluorophenoxy)methyl]pyrazol-3-amine?
1-[(3-fluorophenoxy)methyl]pyrazol-3-amine has a molecular weight of 207.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenoxy)methyl]pyrazol-3-amine is sourced from PubChem (CID 19618305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).