2-(difluoromethoxy)-5-methoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline

C13H15F2N3O2 — CID 43699768

IUPAC2-(difluoromethoxy)-5-methoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCOc1ccc(OC(F)F)c(NCc2ccnn2C)c1
InChIInChI=1S/C13H15F2N3O2/c1-18-9(5-6-17-18)8-16-11-7-10(19-2)3-4-12(11)20-13(14)15/h3-7,13,16H,8H2,1-2H3
InChIKeyCFMNMJRCXNVISL-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.64
Rot. Bonds6

About 2-(difluoromethoxy)-5-methoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline

2-(difluoromethoxy)-5-methoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline (PubChem CID 43699768) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-methoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-methoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline
PubChem CID43699768
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name2-(difluoromethoxy)-5-methoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline
SMILESCOc1ccc(OC(F)F)c(NCc2ccnn2C)c1
InChIInChI=1S/C13H15F2N3O2/c1-18-9(5-6-17-18)8-16-11-7-10(19-2)3-4-12(11)20-13(14)15/h3-7,13,16H,8H2,1-2H3
InChIKeyCFMNMJRCXNVISL-UHFFFAOYSA-N
XLogP2.64
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline (CID 43699768) is 2-(difluoromethoxy)-5-methoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-5-methoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-5-methoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline is COc1ccc(OC(F)F)c(NCc2ccnn2C)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-methoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline?
The InChIKey is CFMNMJRCXNVISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-18-9(5-6-17-18)8-16-11-7-10(19-2)3-4-12(11)20-13(14)15/h3-7,13,16H,8H2,1-2H3.
What are the key properties of 2-(difluoromethoxy)-5-methoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline?
2-(difluoromethoxy)-5-methoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline has a molecular weight of 283.28 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-methoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 43699768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).