3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine

C15H19F2N3O — CID 83203364

IUPAC3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2ccccc2OC(F)F)n1
InChIInChI=1S/C15H19F2N3O/c1-3-10(4-2)20-9-12(18)14(19-20)11-7-5-6-8-13(11)21-15(16)17/h5-10,15H,3-4,18H2,1-2H3
InChIKeyBVFSTHXGYLMRAV-UHFFFAOYSA-N
MW295.33 g/mol
LogP4.09
Rot. Bonds6

About 3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine

3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine (PubChem CID 83203364) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine
PubChem CID83203364
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2ccccc2OC(F)F)n1
InChIInChI=1S/C15H19F2N3O/c1-3-10(4-2)20-9-12(18)14(19-20)11-7-5-6-8-13(11)21-15(16)17/h5-10,15H,3-4,18H2,1-2H3
InChIKeyBVFSTHXGYLMRAV-UHFFFAOYSA-N
XLogP4.09
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine?
The IUPAC name of 3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine (CID 83203364) is 3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine.
What is the SMILES notation for 3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine?
The canonical SMILES for 3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine is CCC(CC)n1cc(N)c(-c2ccccc2OC(F)F)n1.
What is the InChIKey of 3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine?
The InChIKey is BVFSTHXGYLMRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-3-10(4-2)20-9-12(18)14(19-20)11-7-5-6-8-13(11)21-15(16)17/h5-10,15H,3-4,18H2,1-2H3.
What are the key properties of 3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine?
3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine has a molecular weight of 295.33 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)phenyl]-1-pentan-3-ylpyrazol-4-amine is sourced from PubChem (CID 83203364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).