1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-amine

C10H9ClFN3O — CID 7017254

IUPAC1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-amine
SMILESNc1cnn(COc2ccc(F)cc2Cl)c1
InChIInChI=1S/C10H9ClFN3O/c11-9-3-7(12)1-2-10(9)16-6-15-5-8(13)4-14-15/h1-5H,6,13H2
InChIKeyAFWNJXLBKRTXMS-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.29
Rot. Bonds3

About 1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-amine

1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-amine (PubChem CID 7017254) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-amine
PubChem CID7017254
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-amine
SMILESNc1cnn(COc2ccc(F)cc2Cl)c1
InChIInChI=1S/C10H9ClFN3O/c11-9-3-7(12)1-2-10(9)16-6-15-5-8(13)4-14-15/h1-5H,6,13H2
InChIKeyAFWNJXLBKRTXMS-UHFFFAOYSA-N
XLogP2.29
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-amine?
The IUPAC name of 1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-amine (CID 7017254) is 1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-amine?
The canonical SMILES for 1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-amine is Nc1cnn(COc2ccc(F)cc2Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-amine?
The InChIKey is AFWNJXLBKRTXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c11-9-3-7(12)1-2-10(9)16-6-15-5-8(13)4-14-15/h1-5H,6,13H2.
What are the key properties of 1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-amine?
1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-amine has a molecular weight of 241.65 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-amine is sourced from PubChem (CID 7017254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).