1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine

C14H15ClF3N3O — CID 170891001

IUPAC1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine
SMILESCC(N)Cc1c(C(F)(F)F)nn(C)c1Oc1cccc(Cl)c1
InChIInChI=1S/C14H15ClF3N3O/c1-8(19)6-11-12(14(16,17)18)20-21(2)13(11)22-10-5-3-4-9(15)7-10/h3-5,7-8H,6,19H2,1-2H3
InChIKeyAHKAPFYMWMBSSG-UHFFFAOYSA-N
MW333.74 g/mol
LogP3.77
Rot. Bonds4

About 1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine

1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine (PubChem CID 170891001) has the molecular formula C14H15ClF3N3O and a molecular weight of 333.74 g/mol. Its IUPAC name is 1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine
PubChem CID170891001
Molecular FormulaC14H15ClF3N3O
Molecular Weight333.74 g/mol
Exact Mass333.09
IUPAC Name1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine
SMILESCC(N)Cc1c(C(F)(F)F)nn(C)c1Oc1cccc(Cl)c1
InChIInChI=1S/C14H15ClF3N3O/c1-8(19)6-11-12(14(16,17)18)20-21(2)13(11)22-10-5-3-4-9(15)7-10/h3-5,7-8H,6,19H2,1-2H3
InChIKeyAHKAPFYMWMBSSG-UHFFFAOYSA-N
XLogP3.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine (CID 170891001) is 1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine is CC(N)Cc1c(C(F)(F)F)nn(C)c1Oc1cccc(Cl)c1.
What is the InChIKey of 1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine?
The InChIKey is AHKAPFYMWMBSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3O/c1-8(19)6-11-12(14(16,17)18)20-21(2)13(11)22-10-5-3-4-9(15)7-10/h3-5,7-8H,6,19H2,1-2H3.
What are the key properties of 1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine?
1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine has a molecular weight of 333.74 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 170891001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).