[5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1H-pyrazol-4-yl]-phenyldiazene

C15H11F3N4O — CID 174472644

IUPAC[5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1H-pyrazol-4-yl]-phenyldiazene
SMILESCc1cc(-c2[nH]ncc2/N=N/c2ccccc2)c(C(F)(F)F)o1
InChIInChI=1S/C15H11F3N4O/c1-9-7-11(14(23-9)15(16,17)18)13-12(8-19-22-13)21-20-10-5-3-2-4-6-10/h2-8H,1H3,(H,19,22)/b21-20+
InChIKeyNDNUQETZXMPLOG-QZQOTICOSA-N
MW320.27 g/mol
LogP5.41
Rot. Bonds3

About [5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1H-pyrazol-4-yl]-phenyldiazene

[5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1H-pyrazol-4-yl]-phenyldiazene (PubChem CID 174472644) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is [5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1H-pyrazol-4-yl]-phenyldiazene.

Molecular Properties

Compound Name[5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1H-pyrazol-4-yl]-phenyldiazene
PubChem CID174472644
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name[5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1H-pyrazol-4-yl]-phenyldiazene
SMILESCc1cc(-c2[nH]ncc2/N=N/c2ccccc2)c(C(F)(F)F)o1
InChIInChI=1S/C15H11F3N4O/c1-9-7-11(14(23-9)15(16,17)18)13-12(8-19-22-13)21-20-10-5-3-2-4-6-10/h2-8H,1H3,(H,19,22)/b21-20+
InChIKeyNDNUQETZXMPLOG-QZQOTICOSA-N
XLogP5.41
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.27
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-(2-furyl)-4H-pyrazol-4-one N-(3-methylphenyl)hydrazone
CID 3301257
5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole
CID 2805853
3-(2-furyl)-4H-pyrazol-4-one N-phenylhydrazone
CID 3803348
5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole
CID 2742187
Cyto10D11
CID 2742189
3-(3-Furyl)pyrazole
CID 53671153
5-[3-(trifluoromethyl)-1-benzofuran-2-yl]-1H-pyrazole
CID 69886089
[2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine
CID 70062616
N-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-amine
CID 70106328
4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 90705521
4-[(3-fluorophenyl)diazenyl]-5-(2-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 136397989
5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-4-phenyldiazenyl-1H-pyrazol-3-amine
CID 136398046

Frequently Asked Questions

What is the IUPAC name of [5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1H-pyrazol-4-yl]-phenyldiazene?
The IUPAC name of [5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1H-pyrazol-4-yl]-phenyldiazene (CID 174472644) is [5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1H-pyrazol-4-yl]-phenyldiazene.
What is the SMILES notation for [5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1H-pyrazol-4-yl]-phenyldiazene?
The canonical SMILES for [5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1H-pyrazol-4-yl]-phenyldiazene is Cc1cc(-c2[nH]ncc2/N=N/c2ccccc2)c(C(F)(F)F)o1.
What is the InChIKey of [5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1H-pyrazol-4-yl]-phenyldiazene?
The InChIKey is NDNUQETZXMPLOG-QZQOTICOSA-N. The full InChI is InChI=1S/C15H11F3N4O/c1-9-7-11(14(23-9)15(16,17)18)13-12(8-19-22-13)21-20-10-5-3-2-4-6-10/h2-8H,1H3,(H,19,22)/b21-20+.
What are the key properties of [5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1H-pyrazol-4-yl]-phenyldiazene?
[5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1H-pyrazol-4-yl]-phenyldiazene has a molecular weight of 320.27 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-methyl-2-(trifluoromethyl)furan-3-yl]-1H-pyrazol-4-yl]-phenyldiazene is sourced from PubChem (CID 174472644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).