N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine

C17H13F2N3 — CID 171058853

IUPACN-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine
SMILESFC(F)c1[nH]ncc1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H13F2N3/c18-17(19)16-14(11-20-22-16)21-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,17H,(H,20,22)
InChIKeyGDIIBRBPIRYSPR-UHFFFAOYSA-N
MW297.31 g/mol
LogP4.52
Rot. Bonds4

About N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine

N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine (PubChem CID 171058853) has the molecular formula C17H13F2N3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine
PubChem CID171058853
Molecular FormulaC17H13F2N3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine
SMILESFC(F)c1[nH]ncc1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H13F2N3/c18-17(19)16-14(11-20-22-16)21-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,17H,(H,20,22)
InChIKeyGDIIBRBPIRYSPR-UHFFFAOYSA-N
XLogP4.52
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine
CID 156507700
1,1-diphenyl-N-(6-piperidin-1-yl-1H-indazol-5-yl)methanimine
CID 176889729
N-(5-fluoroisoquinolin-4-yl)-1,1-diphenylmethanimine
CID 170773446
N-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine
CID 170741206
N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine
CID 171062917
1,1-diphenyl-N-pyrazolo[1,5-a]pyridin-3-ylmethanimine
CID 155438394
4,5-bis(benzhydrylideneamino)benzene-1,2-dicarbonitrile
CID 166638263
N-(3-fluoro-2-methylindazol-7-yl)-1,1-diphenylmethanimine
CID 170968974
N-[3-(benzhydrylideneamino)thianthren-2-yl]-1,1-diphenylmethanimine
CID 134845676
N-(6-methoxyisoquinolin-4-yl)-1,1-diphenylmethanimine
CID 170773840
N-(2,3-diphenylpyrido[3,4-b]pyrazin-8-yl)-1,1-diphenylmethanimine
CID 54598071
N-[1-cyclopropyl-3-(difluoromethyl)pyrazol-5-yl]-1,1-diphenylmethanimine
CID 169161320

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine (CID 171058853) is N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine is FC(F)c1[nH]ncc1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine?
The InChIKey is GDIIBRBPIRYSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3/c18-17(19)16-14(11-20-22-16)21-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,17H,(H,20,22).
What are the key properties of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine?
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine has a molecular weight of 297.31 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 171058853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).