4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine

C11H8F6N6 — CID 135461015

IUPAC4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C11H8F6N6/c12-10(13,14)4-1-2-6(5(3-4)11(15,16)17)20-21-7-8(18)22-23-9(7)19/h1-3H,(H5,18,19,22,23)/b21-20+
InChIKeyGFRLOPXBEWVPQE-QZQOTICOSA-N
MW338.22 g/mol
LogP4.03
Rot. Bonds2

About 4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine

4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 135461015) has the molecular formula C11H8F6N6 and a molecular weight of 338.22 g/mol. Its IUPAC name is 4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID135461015
Molecular FormulaC11H8F6N6
Molecular Weight338.22 g/mol
Exact Mass338.07
IUPAC Name4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C11H8F6N6/c12-10(13,14)4-1-2-6(5(3-4)11(15,16)17)20-21-7-8(18)22-23-9(7)19/h1-3H,(H5,18,19,22,23)/b21-20+
InChIKeyGFRLOPXBEWVPQE-QZQOTICOSA-N
XLogP4.03
TPSA105.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-[(2,4-difluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135520424
4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine
CID 135510724
4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135744090
4-[(3-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 694534
4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135744098
4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine
CID 135744091
4-[(4-bromo-3-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135414390
4-[(2-methyl-4-morpholin-3-ylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 136641461
4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 1494746
4-(1,2,4-triazin-3-yldiazenyl)-1H-pyrazole-3,5-diamine
CID 135744096
1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol
CID 135418326
5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazole
CID 141155968

Frequently Asked Questions

What is the IUPAC name of 4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine (CID 135461015) is 4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine is Nc1n[nH]c(N)c1/N=N/c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is GFRLOPXBEWVPQE-QZQOTICOSA-N. The full InChI is InChI=1S/C11H8F6N6/c12-10(13,14)4-1-2-6(5(3-4)11(15,16)17)20-21-7-8(18)22-23-9(7)19/h1-3H,(H5,18,19,22,23)/b21-20+.
What are the key properties of 4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine?
4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 338.22 g/mol, XLogP of 4.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 135461015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).