4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine

C11H11F2N3O — CID 117350188

IUPAC4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(-c2cnn(C)c2N)ccc(F)c1F
InChIInChI=1S/C11H11F2N3O/c1-16-11(14)7(5-15-16)6-3-4-8(12)9(13)10(6)17-2/h3-5H,14H2,1-2H3
InChIKeyCKFTYBQGIDOXHJ-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.96
Rot. Bonds2

About 4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine

4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117350188) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117350188
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(-c2cnn(C)c2N)ccc(F)c1F
InChIInChI=1S/C11H11F2N3O/c1-16-11(14)7(5-15-16)6-3-4-8(12)9(13)10(6)17-2/h3-5H,14H2,1-2H3
InChIKeyCKFTYBQGIDOXHJ-UHFFFAOYSA-N
XLogP1.96
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117416887
4-(3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine;hydrobromide
CID 117486227
4-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464605
4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117342062
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
4-[2,4-difluoro-3-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385316
4-(2-methoxy-3-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117376784
4-(5-amino-1-methylpyrazol-4-yl)-2,3-dimethoxybenzaldehyde
CID 117407008
4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426013
4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375989
4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117392093
4-(2-fluoro-4-methoxy-3-methylsulfonylphenyl)-1-methylpyrazol-5-amine
CID 117482175

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine (CID 117350188) is 4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine is COc1c(-c2cnn(C)c2N)ccc(F)c1F.
What is the InChIKey of 4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is CKFTYBQGIDOXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-16-11(14)7(5-15-16)6-3-4-8(12)9(13)10(6)17-2/h3-5H,14H2,1-2H3.
What are the key properties of 4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 239.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117350188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).