5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine

C15H12ClN3O — CID 171920660

IUPAC5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)[nH]n1
InChIInChI=1S/C15H12ClN3O/c16-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)14-9-15(17)19-18-14/h1-9H,(H3,17,18,19)
InChIKeyVORZJDMLVXLYIT-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.10
Rot. Bonds3

About 5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine

5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine (PubChem CID 171920660) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine
PubChem CID171920660
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)[nH]n1
InChIInChI=1S/C15H12ClN3O/c16-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)14-9-15(17)19-18-14/h1-9H,(H3,17,18,19)
InChIKeyVORZJDMLVXLYIT-UHFFFAOYSA-N
XLogP4.10
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine (CID 171920660) is 5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine is Nc1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)[nH]n1.
What is the InChIKey of 5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine?
The InChIKey is VORZJDMLVXLYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)14-9-15(17)19-18-14/h1-9H,(H3,17,18,19).
What are the key properties of 5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine?
5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine has a molecular weight of 285.73 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenoxy)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 171920660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).