2-(difluoromethoxy)-5-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline

C12H13F2N3O2 — CID 43699772

IUPAC2-(difluoromethoxy)-5-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline
SMILESCOc1ccc(OC(F)F)c(NCc2ccn[nH]2)c1
InChIInChI=1S/C12H13F2N3O2/c1-18-9-2-3-11(19-12(13)14)10(6-9)15-7-8-4-5-16-17-8/h2-6,12,15H,7H2,1H3,(H,16,17)
InChIKeyJPPHGYRCWKQNON-UHFFFAOYSA-N
MW269.25 g/mol
LogP2.63
Rot. Bonds6

About 2-(difluoromethoxy)-5-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline

2-(difluoromethoxy)-5-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline (PubChem CID 43699772) has the molecular formula C12H13F2N3O2 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline
PubChem CID43699772
Molecular FormulaC12H13F2N3O2
Molecular Weight269.25 g/mol
Exact Mass269.10
IUPAC Name2-(difluoromethoxy)-5-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline
SMILESCOc1ccc(OC(F)F)c(NCc2ccn[nH]2)c1
InChIInChI=1S/C12H13F2N3O2/c1-18-9-2-3-11(19-12(13)14)10(6-9)15-7-8-4-5-16-17-8/h2-6,12,15H,7H2,1H3,(H,16,17)
InChIKeyJPPHGYRCWKQNON-UHFFFAOYSA-N
XLogP2.63
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline?
The IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline (CID 43699772) is 2-(difluoromethoxy)-5-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-5-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline?
The canonical SMILES for 2-(difluoromethoxy)-5-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline is COc1ccc(OC(F)F)c(NCc2ccn[nH]2)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline?
The InChIKey is JPPHGYRCWKQNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2/c1-18-9-2-3-11(19-12(13)14)10(6-9)15-7-8-4-5-16-17-8/h2-6,12,15H,7H2,1H3,(H,16,17).
What are the key properties of 2-(difluoromethoxy)-5-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline?
2-(difluoromethoxy)-5-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline has a molecular weight of 269.25 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-methoxy-N-(1H-pyrazol-5-ylmethyl)aniline is sourced from PubChem (CID 43699772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).