4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine

C12H13F2N3 — CID 117346326

IUPAC4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine
SMILESCC(F)(F)Cc1cccc(-c2cn[nH]c2N)c1
InChIInChI=1S/C12H13F2N3/c1-12(13,14)6-8-3-2-4-9(5-8)10-7-16-17-11(10)15/h2-5,7H,6H2,1H3,(H3,15,16,17)
InChIKeyZDDADKOJPFOTKY-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.86
Rot. Bonds3

About 4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine

4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine (PubChem CID 117346326) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine
PubChem CID117346326
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine
SMILESCC(F)(F)Cc1cccc(-c2cn[nH]c2N)c1
InChIInChI=1S/C12H13F2N3/c1-12(13,14)6-8-3-2-4-9(5-8)10-7-16-17-11(10)15/h2-5,7H,6H2,1H3,(H3,15,16,17)
InChIKeyZDDADKOJPFOTKY-UHFFFAOYSA-N
XLogP2.86
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine (CID 117346326) is 4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine is CC(F)(F)Cc1cccc(-c2cn[nH]c2N)c1.
What is the InChIKey of 4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine?
The InChIKey is ZDDADKOJPFOTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-12(13,14)6-8-3-2-4-9(5-8)10-7-16-17-11(10)15/h2-5,7H,6H2,1H3,(H3,15,16,17).
What are the key properties of 4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine?
4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine has a molecular weight of 237.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2-difluoropropyl)phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117346326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).