N'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide

C23H17F3N4O2 — CID 18832369

IUPACN'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide
SMILESO=C(NNc1ccccc1)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)21-18-10-11-19-17(12-13-32-19)20(18)30(29-21)16-8-6-14(7-9-16)22(31)28-27-15-4-2-1-3-5-15/h1-9,12-13,27H,10-11H2,(H,28,31)
InChIKeyYTJFGRSMYXFSAX-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.01
Rot. Bonds4

About N'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide

N'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide (PubChem CID 18832369) has the molecular formula C23H17F3N4O2 and a molecular weight of 438.41 g/mol. Its IUPAC name is N'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide.

Molecular Properties

Compound NameN'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide
PubChem CID18832369
Molecular FormulaC23H17F3N4O2
Molecular Weight438.41 g/mol
Exact Mass438.13
IUPAC NameN'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide
SMILESO=C(NNc1ccccc1)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1
InChIInChI=1S/C23H17F3N4O2/c24-23(25,26)21-18-10-11-19-17(12-13-32-19)20(18)30(29-21)16-8-6-14(7-9-16)22(31)28-27-15-4-2-1-3-5-15/h1-9,12-13,27H,10-11H2,(H,28,31)
InChIKeyYTJFGRSMYXFSAX-UHFFFAOYSA-N
XLogP5.01
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide?
The IUPAC name of N'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide (CID 18832369) is N'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide.
What is the SMILES notation for N'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide?
The canonical SMILES for N'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide is O=C(NNc1ccccc1)c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1.
What is the InChIKey of N'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide?
The InChIKey is YTJFGRSMYXFSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O2/c24-23(25,26)21-18-10-11-19-17(12-13-32-19)20(18)30(29-21)16-8-6-14(7-9-16)22(31)28-27-15-4-2-1-3-5-15/h1-9,12-13,27H,10-11H2,(H,28,31).
What are the key properties of N'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide?
N'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide has a molecular weight of 438.41 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenyl-4-[3-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazol-1-yl]benzohydrazide is sourced from PubChem (CID 18832369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).