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

C12H13F2N3O2 — CID 117426009

IUPAC4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(-c2cnn(C)c2N)c(F)c(OC)c1F
InChIInChI=1S/C12H13F2N3O2/c1-17-12(15)7(5-16-17)6-4-8(18-2)10(14)11(19-3)9(6)13/h4-5H,15H2,1-3H3
InChIKeyOOXJZLPYLLUBQX-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.96
Rot. Bonds3

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

4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117426009) has the molecular formula C12H13F2N3O2 and a molecular weight of 269.25 g/mol. Its IUPAC name is 4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117426009
Molecular FormulaC12H13F2N3O2
Molecular Weight269.25 g/mol
Exact Mass269.10
IUPAC Name4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(-c2cnn(C)c2N)c(F)c(OC)c1F
InChIInChI=1S/C12H13F2N3O2/c1-17-12(15)7(5-16-17)6-4-8(18-2)10(14)11(19-3)9(6)13/h4-5H,15H2,1-3H3
InChIKeyOOXJZLPYLLUBQX-UHFFFAOYSA-N
XLogP1.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine (CID 117426009) is 4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine is COc1cc(-c2cnn(C)c2N)c(F)c(OC)c1F.
What is the InChIKey of 4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is OOXJZLPYLLUBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2/c1-17-12(15)7(5-16-17)6-4-8(18-2)10(14)11(19-3)9(6)13/h4-5H,15H2,1-3H3.
What are the key properties of 4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine?
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 269.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117426009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).