N-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine

C21H20N4 — CID 136543918

IUPACN-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine
SMILESCC(C)(C)c1[nH]ncc1C=NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H20N4/c1-21(2,3)20-14(13-23-25-20)12-22-24-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-13H,1-3H3,(H,23,25)
InChIKeyWYAGNJQQQNTYKA-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.56
Rot. Bonds2

About N-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine

N-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine (PubChem CID 136543918) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine
PubChem CID136543918
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine
SMILESCC(C)(C)c1[nH]ncc1C=NN=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H20N4/c1-21(2,3)20-14(13-23-25-20)12-22-24-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-13H,1-3H3,(H,23,25)
InChIKeyWYAGNJQQQNTYKA-UHFFFAOYSA-N
XLogP4.56
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(Z)-(2-nitrophenyl)methylideneamino]fluoren-9-imine
CID 5408346
[2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]phenyl]methanediol
CID 130198257
4-(2-chlorophenyl)-5-(1,1-dichloroethyl)-1H-pyrazole
CID 142636907
N-[(4-propan-2-ylphenyl)methylideneamino]fluoren-9-imine
CID 69239599
(E)-N-[(E)-(4-chlorophenyl)methylideneamino]fluoren-9-imine
CID 6907399
4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]phenol
CID 135559008
2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4,6-diiodophenol
CID 136678691
N-(anthracen-9-ylmethylideneamino)fluoren-9-imine
CID 3869417
(Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine
CID 5408315
2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenol
CID 135497970
3-(5-tert-butyl-1H-pyrazol-4-yl)benzaldehyde
CID 39222110
5-tert-butyl-4-cyclopropyl-1H-pyrazole
CID 137491744

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine?
The IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine (CID 136543918) is N-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine.
What is the SMILES notation for N-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine?
The canonical SMILES for N-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine is CC(C)(C)c1[nH]ncc1C=NN=C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine?
The InChIKey is WYAGNJQQQNTYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-21(2,3)20-14(13-23-25-20)12-22-24-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-13H,1-3H3,(H,23,25).
What are the key properties of N-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine?
N-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine has a molecular weight of 328.42 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1H-pyrazol-4-yl)methylideneamino]fluoren-9-imine is sourced from PubChem (CID 136543918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).