4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine

C11H11F2N3O — CID 117350162

IUPAC4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1c(F)cc(CF)cc1-c1cn[nH]c1N
InChIInChI=1S/C11H11F2N3O/c1-17-10-7(8-5-15-16-11(8)14)2-6(4-12)3-9(10)13/h2-3,5H,4H2,1H3,(H3,14,15,16)
InChIKeyNGJMISUXIJYGEA-UHFFFAOYSA-N
MW239.22 g/mol
LogP2.28
Rot. Bonds3

About 4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine

4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine (PubChem CID 117350162) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is 4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine
PubChem CID117350162
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC Name4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine
SMILESCOc1c(F)cc(CF)cc1-c1cn[nH]c1N
InChIInChI=1S/C11H11F2N3O/c1-17-10-7(8-5-15-16-11(8)14)2-6(4-12)3-9(10)13/h2-3,5H,4H2,1H3,(H3,14,15,16)
InChIKeyNGJMISUXIJYGEA-UHFFFAOYSA-N
XLogP2.28
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117395723
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117488845
4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine
CID 117482951
4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine
CID 117359088
4-(5-amino-1H-pyrazol-4-yl)-5-fluoro-2-methoxyphenol
CID 117319151
4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
2-(5-amino-1H-pyrazol-4-yl)-4-[(dimethylamino)methyl]-6-fluorophenol
CID 117378752
4-(5-fluoro-2-methoxy-3-methylsulfonylphenyl)-1H-pyrazol-5-amine
CID 117459290
4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117452228
4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117460558
4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117455217
2-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]propan-2-amine
CID 117306665

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine (CID 117350162) is 4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine is COc1c(F)cc(CF)cc1-c1cn[nH]c1N.
What is the InChIKey of 4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine?
The InChIKey is NGJMISUXIJYGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-17-10-7(8-5-15-16-11(8)14)2-6(4-12)3-9(10)13/h2-3,5H,4H2,1H3,(H3,14,15,16).
What are the key properties of 4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine?
4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine has a molecular weight of 239.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 117350162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).