N-[5-(4-fluorophenyl)-2-propan-2-yloxyphenyl]-2,5-dimethylpyrazol-3-amine

C20H22FN3O — CID 141091838

IUPACN-[5-(4-fluorophenyl)-2-propan-2-yloxyphenyl]-2,5-dimethylpyrazol-3-amine
SMILESCc1cc(Nc2cc(-c3ccc(F)cc3)ccc2OC(C)C)n(C)n1
InChIInChI=1S/C20H22FN3O/c1-13(2)25-19-10-7-16(15-5-8-17(21)9-6-15)12-18(19)22-20-11-14(3)23-24(20)4/h5-13,22H,1-4H3
InChIKeyMANKDOVHEMZYFX-UHFFFAOYSA-N
MW339.41 g/mol
LogP5.07
Rot. Bonds5

About N-[5-(4-fluorophenyl)-2-propan-2-yloxyphenyl]-2,5-dimethylpyrazol-3-amine

N-[5-(4-fluorophenyl)-2-propan-2-yloxyphenyl]-2,5-dimethylpyrazol-3-amine (PubChem CID 141091838) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-2-propan-2-yloxyphenyl]-2,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-2-propan-2-yloxyphenyl]-2,5-dimethylpyrazol-3-amine
PubChem CID141091838
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC NameN-[5-(4-fluorophenyl)-2-propan-2-yloxyphenyl]-2,5-dimethylpyrazol-3-amine
SMILESCc1cc(Nc2cc(-c3ccc(F)cc3)ccc2OC(C)C)n(C)n1
InChIInChI=1S/C20H22FN3O/c1-13(2)25-19-10-7-16(15-5-8-17(21)9-6-15)12-18(19)22-20-11-14(3)23-24(20)4/h5-13,22H,1-4H3
InChIKeyMANKDOVHEMZYFX-UHFFFAOYSA-N
XLogP5.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-2-propan-2-yloxyphenyl]-2,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[5-(4-fluorophenyl)-2-propan-2-yloxyphenyl]-2,5-dimethylpyrazol-3-amine (CID 141091838) is N-[5-(4-fluorophenyl)-2-propan-2-yloxyphenyl]-2,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[5-(4-fluorophenyl)-2-propan-2-yloxyphenyl]-2,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[5-(4-fluorophenyl)-2-propan-2-yloxyphenyl]-2,5-dimethylpyrazol-3-amine is Cc1cc(Nc2cc(-c3ccc(F)cc3)ccc2OC(C)C)n(C)n1.
What is the InChIKey of N-[5-(4-fluorophenyl)-2-propan-2-yloxyphenyl]-2,5-dimethylpyrazol-3-amine?
The InChIKey is MANKDOVHEMZYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-13(2)25-19-10-7-16(15-5-8-17(21)9-6-15)12-18(19)22-20-11-14(3)23-24(20)4/h5-13,22H,1-4H3.
What are the key properties of N-[5-(4-fluorophenyl)-2-propan-2-yloxyphenyl]-2,5-dimethylpyrazol-3-amine?
N-[5-(4-fluorophenyl)-2-propan-2-yloxyphenyl]-2,5-dimethylpyrazol-3-amine has a molecular weight of 339.41 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-2-propan-2-yloxyphenyl]-2,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 141091838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).