4-[(3-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-amine

C12H14FN3O — CID 62193539

IUPAC4-[(3-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1COc1cccc(F)c1
InChIInChI=1S/C12H14FN3O/c1-8-11(12(14)16(2)15-8)7-17-10-5-3-4-9(13)6-10/h3-6H,7,14H2,1-2H3
InChIKeyZBKXROCRUPZXDK-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.03
Rot. Bonds3

About 4-[(3-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-amine

4-[(3-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-amine (PubChem CID 62193539) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-[(3-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(3-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-amine
PubChem CID62193539
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name4-[(3-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1COc1cccc(F)c1
InChIInChI=1S/C12H14FN3O/c1-8-11(12(14)16(2)15-8)7-17-10-5-3-4-9(13)6-10/h3-6H,7,14H2,1-2H3
InChIKeyZBKXROCRUPZXDK-UHFFFAOYSA-N
XLogP2.03
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-[(3-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-amine (CID 62193539) is 4-[(3-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-[(3-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-[(3-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(N)c1COc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-amine?
The InChIKey is ZBKXROCRUPZXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8-11(12(14)16(2)15-8)7-17-10-5-3-4-9(13)6-10/h3-6H,7,14H2,1-2H3.
What are the key properties of 4-[(3-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-amine?
4-[(3-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-amine has a molecular weight of 235.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 62193539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).