1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine

C14H17F2N3O — CID 43725527

IUPAC1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCc1[nH]ncc1CNC(C)c1ccccc1OC(F)F
InChIInChI=1S/C14H17F2N3O/c1-9-11(8-18-19-9)7-17-10(2)12-5-3-4-6-13(12)20-14(15)16/h3-6,8,10,14,17H,7H2,1-2H3,(H,18,19)
InChIKeyXSOBDNHSYZEUDX-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.17
Rot. Bonds6

About 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine

1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 43725527) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID43725527
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCc1[nH]ncc1CNC(C)c1ccccc1OC(F)F
InChIInChI=1S/C14H17F2N3O/c1-9-11(8-18-19-9)7-17-10(2)12-5-3-4-6-13(12)20-14(15)16/h3-6,8,10,14,17H,7H2,1-2H3,(H,18,19)
InChIKeyXSOBDNHSYZEUDX-UHFFFAOYSA-N
XLogP3.17
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine (CID 43725527) is 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is Cc1[nH]ncc1CNC(C)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is XSOBDNHSYZEUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-9-11(8-18-19-9)7-17-10(2)12-5-3-4-6-13(12)20-14(15)16/h3-6,8,10,14,17H,7H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine?
1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 281.31 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 43725527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).