1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine

C15H19F2N3 — CID 63815728

IUPAC1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)c(-n2ccc(C(C)C)n2)c(F)c1
InChIInChI=1S/C15H19F2N3/c1-9(2)14-4-5-20(19-14)15-12(16)7-11(6-10(3)18)8-13(15)17/h4-5,7-10H,6,18H2,1-3H3
InChIKeyNUDYKFSIBCWVBP-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.16
Rot. Bonds4

About 1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine

1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine (PubChem CID 63815728) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine
PubChem CID63815728
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)c(-n2ccc(C(C)C)n2)c(F)c1
InChIInChI=1S/C15H19F2N3/c1-9(2)14-4-5-20(19-14)15-12(16)7-11(6-10(3)18)8-13(15)17/h4-5,7-10H,6,18H2,1-3H3
InChIKeyNUDYKFSIBCWVBP-UHFFFAOYSA-N
XLogP3.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine (CID 63815728) is 1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine is CC(N)Cc1cc(F)c(-n2ccc(C(C)C)n2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine?
The InChIKey is NUDYKFSIBCWVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-9(2)14-4-5-20(19-14)15-12(16)7-11(6-10(3)18)8-13(15)17/h4-5,7-10H,6,18H2,1-3H3.
What are the key properties of 1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine?
1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine has a molecular weight of 279.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-(3-propan-2-ylpyrazol-1-yl)phenyl]propan-2-amine is sourced from PubChem (CID 63815728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).