N-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide

C19H15F4N3O2 — CID 19292392

IUPACN-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
SMILESCn1cc(CNC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)cc2)cn1
InChIInChI=1S/C19H15F4N3O2/c1-26-9-12(8-25-26)7-24-19(27)13-4-2-11(3-5-13)10-28-18-16(22)14(20)6-15(21)17(18)23/h2-6,8-9H,7,10H2,1H3,(H,24,27)
InChIKeyZTINKPJWKRYJTL-UHFFFAOYSA-N
MW393.34 g/mol
LogP3.49
Rot. Bonds6

About N-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide

N-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide (PubChem CID 19292392) has the molecular formula C19H15F4N3O2 and a molecular weight of 393.34 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
PubChem CID19292392
Molecular FormulaC19H15F4N3O2
Molecular Weight393.34 g/mol
Exact Mass393.11
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
SMILESCn1cc(CNC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)cc2)cn1
InChIInChI=1S/C19H15F4N3O2/c1-26-9-12(8-25-26)7-24-19(27)13-4-2-11(3-5-13)10-28-18-16(22)14(20)6-15(21)17(18)23/h2-6,8-9H,7,10H2,1H3,(H,24,27)
InChIKeyZTINKPJWKRYJTL-UHFFFAOYSA-N
XLogP3.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide (CID 19292392) is N-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide is Cn1cc(CNC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)cc2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide?
The InChIKey is ZTINKPJWKRYJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O2/c1-26-9-12(8-25-26)7-24-19(27)13-4-2-11(3-5-13)10-28-18-16(22)14(20)6-15(21)17(18)23/h2-6,8-9H,7,10H2,1H3,(H,24,27).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide?
N-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide has a molecular weight of 393.34 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide is sourced from PubChem (CID 19292392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).