2-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-3-amine

C16H14FN3O — CID 134449611

IUPAC2-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-3-amine
SMILESCc1cc(-n2nccc2N)ccc1Oc1ccccc1F
InChIInChI=1S/C16H14FN3O/c1-11-10-12(20-16(18)8-9-19-20)6-7-14(11)21-15-5-3-2-4-13(15)17/h2-10H,18H2,1H3
InChIKeyXDNJFEIGDCYRFF-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.69
Rot. Bonds3

About 2-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-3-amine

2-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-3-amine (PubChem CID 134449611) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-3-amine
PubChem CID134449611
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-3-amine
SMILESCc1cc(-n2nccc2N)ccc1Oc1ccccc1F
InChIInChI=1S/C16H14FN3O/c1-11-10-12(20-16(18)8-9-19-20)6-7-14(11)21-15-5-3-2-4-13(15)17/h2-10H,18H2,1H3
InChIKeyXDNJFEIGDCYRFF-UHFFFAOYSA-N
XLogP3.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-3-amine?
The IUPAC name of 2-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-3-amine (CID 134449611) is 2-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-3-amine.
What is the SMILES notation for 2-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-3-amine?
The canonical SMILES for 2-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-3-amine is Cc1cc(-n2nccc2N)ccc1Oc1ccccc1F.
What is the InChIKey of 2-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-3-amine?
The InChIKey is XDNJFEIGDCYRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11-10-12(20-16(18)8-9-19-20)6-7-14(11)21-15-5-3-2-4-13(15)17/h2-10H,18H2,1H3.
What are the key properties of 2-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-3-amine?
2-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-3-amine has a molecular weight of 283.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenoxy)-3-methylphenyl]pyrazol-3-amine is sourced from PubChem (CID 134449611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).