1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol

C26H24F2N4O — CID 156539443

IUPAC1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1ccc(-c2ncc(N=C(c3ccccc3)c3ccccc3)cc2C(F)F)n1
InChIInChI=1S/C26H24F2N4O/c1-26(2,33)17-32-14-13-22(31-32)24-21(25(27)28)15-20(16-29-24)30-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,25,33H,17H2,1-2H3
InChIKeyAVKZHAFEMVJEQF-UHFFFAOYSA-N
MW446.50 g/mol
LogP5.82
Rot. Bonds7

About 1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 156539443) has the molecular formula C26H24F2N4O and a molecular weight of 446.50 g/mol. Its IUPAC name is 1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID156539443
Molecular FormulaC26H24F2N4O
Molecular Weight446.50 g/mol
Exact Mass446.19
IUPAC Name1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1ccc(-c2ncc(N=C(c3ccccc3)c3ccccc3)cc2C(F)F)n1
InChIInChI=1S/C26H24F2N4O/c1-26(2,33)17-32-14-13-22(31-32)24-21(25(27)28)15-20(16-29-24)30-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,25,33H,17H2,1-2H3
InChIKeyAVKZHAFEMVJEQF-UHFFFAOYSA-N
XLogP5.82
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]triazol-4-yl]ethanone
CID 156563946
N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine
CID 90020358
N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine
CID 156507700
N-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine
CID 143871675
N-[2-(4-methylimidazol-1-yl)pyrimidin-5-yl]-1,1-diphenylmethanimine
CID 58065690
3-(benzhydrylideneamino)-6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one
CID 169085606
1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 143911345
tert-butyl N-[1-[5-(benzhydrylideneamino)-3-pyridinyl]-3,3-difluoropropyl]carbamate
CID 172594102
ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol
CID 177014001
1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 166535069
N-(5-chloro-6-isocyano-3-pyridinyl)-1,1-diphenylmethanimine
CID 171466296
5-(benzhydrylideneamino)-3-chloropyridine-2-carbonitrile
CID 164600664

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 156539443) is 1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1ccc(-c2ncc(N=C(c3ccccc3)c3ccccc3)cc2C(F)F)n1.
What is the InChIKey of 1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is AVKZHAFEMVJEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O/c1-26(2,33)17-32-14-13-22(31-32)24-21(25(27)28)15-20(16-29-24)30-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,25,33H,17H2,1-2H3.
What are the key properties of 1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 446.50 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(benzhydrylideneamino)-3-(difluoromethyl)-2-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 156539443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).