4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine

C13H15F2N3 — CID 117380822

IUPAC4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cc(C(C)(C)F)ccc2F)c1N
InChIInChI=1S/C13H15F2N3/c1-13(2,15)8-4-5-11(14)9(6-8)10-7-17-18(3)12(10)16/h4-7H,16H2,1-3H3
InChIKeyUPBLRUIHIIAHIZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.01
Rot. Bonds2

About 4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine

4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117380822) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117380822
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cc(C(C)(C)F)ccc2F)c1N
InChIInChI=1S/C13H15F2N3/c1-13(2,15)8-4-5-11(14)9(6-8)10-7-17-18(3)12(10)16/h4-7H,16H2,1-3H3
InChIKeyUPBLRUIHIIAHIZ-UHFFFAOYSA-N
XLogP3.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373
4-[5-(1,1-difluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117421303
4-(2,5-difluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117319250
4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117473364
4-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 115112521
4-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117441268
4-[3-fluoro-2-(trifluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117401092
4-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464605
3-(5-amino-1-methylpyrazol-4-yl)-2,4-difluorophenol
CID 117322755
4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117319251
2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol
CID 117295558
4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine
CID 117332308

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine (CID 117380822) is 4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine is Cn1ncc(-c2cc(C(C)(C)F)ccc2F)c1N.
What is the InChIKey of 4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is UPBLRUIHIIAHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-13(2,15)8-4-5-11(14)9(6-8)10-7-17-18(3)12(10)16/h4-7H,16H2,1-3H3.
What are the key properties of 4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine?
4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 251.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117380822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).