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

C11H11F2N3O — CID 117350204

IUPAC3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(F)cc(-c2cc(N)n(C)n2)c1F
InChIInChI=1S/C11H11F2N3O/c1-16-10(14)5-8(15-16)7-3-6(12)4-9(17-2)11(7)13/h3-5H,14H2,1-2H3
InChIKeyMPNVHKNAERPNFI-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.96
Rot. Bonds2

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

3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117350204) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117350204
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(F)cc(-c2cc(N)n(C)n2)c1F
InChIInChI=1S/C11H11F2N3O/c1-16-10(14)5-8(15-16)7-3-6(12)4-9(17-2)11(7)13/h3-5H,14H2,1-2H3
InChIKeyMPNVHKNAERPNFI-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

3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482985
3-(3-bromo-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482979
3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482991
3-(5-ethyl-4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375997
3-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117478815
3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117442658
3-(4-ethyl-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117407814
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117376001
3-[2,3-difluoro-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117385342
3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine
CID 117407229
3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117456804
3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine
CID 115112010

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine (CID 117350204) is 3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine is COc1cc(F)cc(-c2cc(N)n(C)n2)c1F.
What is the InChIKey of 3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is MPNVHKNAERPNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-16-10(14)5-8(15-16)7-3-6(12)4-9(17-2)11(7)13/h3-5H,14H2,1-2H3.
What are the key properties of 3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine?
3-(2,5-difluoro-3-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 3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117350204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).