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

C19H19F2N3O — CID 59446742

IUPAC2-[2-(difluoromethoxy)phenyl]-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
SMILESCNCC(c1ccc(-c2cn[nH]c2)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C19H19F2N3O/c1-22-12-17(16-4-2-3-5-18(16)25-19(20)21)14-8-6-13(7-9-14)15-10-23-24-11-15/h2-11,17,19,22H,12H2,1H3,(H,23,24)
InChIKeyFHGQJXNTLBMANI-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.03
Rot. Bonds7

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

2-[2-(difluoromethoxy)phenyl]-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine (PubChem CID 59446742) has the molecular formula C19H19F2N3O and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
PubChem CID59446742
Molecular FormulaC19H19F2N3O
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[2-(difluoromethoxy)phenyl]-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
SMILESCNCC(c1ccc(-c2cn[nH]c2)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C19H19F2N3O/c1-22-12-17(16-4-2-3-5-18(16)25-19(20)21)14-8-6-13(7-9-14)15-10-23-24-11-15/h2-11,17,19,22H,12H2,1H3,(H,23,24)
InChIKeyFHGQJXNTLBMANI-UHFFFAOYSA-N
XLogP4.03
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine (CID 59446742) is 2-[2-(difluoromethoxy)phenyl]-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine is CNCC(c1ccc(-c2cn[nH]c2)cc1)c1ccccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The InChIKey is FHGQJXNTLBMANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O/c1-22-12-17(16-4-2-3-5-18(16)25-19(20)21)14-8-6-13(7-9-14)15-10-23-24-11-15/h2-11,17,19,22H,12H2,1H3,(H,23,24).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
2-[2-(difluoromethoxy)phenyl]-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine has a molecular weight of 343.38 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 59446742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).