5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine

C12H12F3N3 — CID 117390598

IUPAC5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine
SMILESCC(C)(F)c1cc(F)c(F)c(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C12H12F3N3/c1-12(2,15)6-3-7(11(14)8(13)4-6)9-5-10(16)18-17-9/h3-5H,1-2H3,(H3,16,17,18)
InChIKeyZWDYUQNZCAEQPW-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.14
Rot. Bonds2

About 5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine

5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine (PubChem CID 117390598) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine
PubChem CID117390598
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine
SMILESCC(C)(F)c1cc(F)c(F)c(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C12H12F3N3/c1-12(2,15)6-3-7(11(14)8(13)4-6)9-5-10(16)18-17-9/h3-5H,1-2H3,(H3,16,17,18)
InChIKeyZWDYUQNZCAEQPW-UHFFFAOYSA-N
XLogP3.14
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine (CID 117390598) is 5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine is CC(C)(F)c1cc(F)c(F)c(-c2cc(N)n[nH]2)c1.
What is the InChIKey of 5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is ZWDYUQNZCAEQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-12(2,15)6-3-7(11(14)8(13)4-6)9-5-10(16)18-17-9/h3-5H,1-2H3,(H3,16,17,18).
What are the key properties of 5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine?
5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 255.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117390598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).