2-(difluoromethoxy)-5-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline

C13H15F2N3O2 — CID 60972785

IUPAC2-(difluoromethoxy)-5-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
SMILESCOc1ccc(OC(F)F)c(NC(C)c2ccn[nH]2)c1
InChIInChI=1S/C13H15F2N3O2/c1-8(10-5-6-16-18-10)17-11-7-9(19-2)3-4-12(11)20-13(14)15/h3-8,13,17H,1-2H3,(H,16,18)
InChIKeyDPIDEQSAQJTLRA-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.19
Rot. Bonds6

About 2-(difluoromethoxy)-5-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline

2-(difluoromethoxy)-5-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline (PubChem CID 60972785) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
PubChem CID60972785
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name2-(difluoromethoxy)-5-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
SMILESCOc1ccc(OC(F)F)c(NC(C)c2ccn[nH]2)c1
InChIInChI=1S/C13H15F2N3O2/c1-8(10-5-6-16-18-10)17-11-7-9(19-2)3-4-12(11)20-13(14)15/h3-8,13,17H,1-2H3,(H,16,18)
InChIKeyDPIDEQSAQJTLRA-UHFFFAOYSA-N
XLogP3.19
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.19
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-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline (CID 60972785) is 2-(difluoromethoxy)-5-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-5-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-5-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline is COc1ccc(OC(F)F)c(NC(C)c2ccn[nH]2)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The InChIKey is DPIDEQSAQJTLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-8(10-5-6-16-18-10)17-11-7-9(19-2)3-4-12(11)20-13(14)15/h3-8,13,17H,1-2H3,(H,16,18).
What are the key properties of 2-(difluoromethoxy)-5-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
2-(difluoromethoxy)-5-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline has a molecular weight of 283.28 g/mol, XLogP of 3.19, 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-[1-(1H-pyrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 60972785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).