1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine

C10H7F5N4 — CID 103078765

IUPAC1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine
SMILESCn1cc(N)c(Nc2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C10H7F5N4/c1-19-2-3(16)10(18-19)17-9-7(14)5(12)4(11)6(13)8(9)15/h2H,16H2,1H3,(H,17,18)
InChIKeyOTVOAFFZADLVLT-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.44
Rot. Bonds2

About 1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine

1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine (PubChem CID 103078765) has the molecular formula C10H7F5N4 and a molecular weight of 278.18 g/mol. Its IUPAC name is 1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine.

Molecular Properties

Compound Name1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine
PubChem CID103078765
Molecular FormulaC10H7F5N4
Molecular Weight278.18 g/mol
Exact Mass278.06
IUPAC Name1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine
SMILESCn1cc(N)c(Nc2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C10H7F5N4/c1-19-2-3(16)10(18-19)17-9-7(14)5(12)4(11)6(13)8(9)15/h2H,16H2,1H3,(H,17,18)
InChIKeyOTVOAFFZADLVLT-UHFFFAOYSA-N
XLogP2.44
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine?
The IUPAC name of 1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine (CID 103078765) is 1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine.
What is the SMILES notation for 1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine?
The canonical SMILES for 1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine is Cn1cc(N)c(Nc2c(F)c(F)c(F)c(F)c2F)n1.
What is the InChIKey of 1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine?
The InChIKey is OTVOAFFZADLVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N4/c1-19-2-3(16)10(18-19)17-9-7(14)5(12)4(11)6(13)8(9)15/h2H,16H2,1H3,(H,17,18).
What are the key properties of 1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine?
1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine has a molecular weight of 278.18 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3,4-diamine is sourced from PubChem (CID 103078765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).