4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine

C10H9F2N5 — CID 170279040

IUPAC4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1/N=N/c1c(F)cccc1F
InChIInChI=1S/C10H9F2N5/c1-5-8(10(13)17-14-5)15-16-9-6(11)3-2-4-7(9)12/h2-4H,1H3,(H3,13,14,17)/b16-15+
InChIKeyGAVBWOIDSHVLAA-FOCLMDBBSA-N
MW237.21 g/mol
LogP2.99
Rot. Bonds2

About 4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine

4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine (PubChem CID 170279040) has the molecular formula C10H9F2N5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine
PubChem CID170279040
Molecular FormulaC10H9F2N5
Molecular Weight237.21 g/mol
Exact Mass237.08
IUPAC Name4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1/N=N/c1c(F)cccc1F
InChIInChI=1S/C10H9F2N5/c1-5-8(10(13)17-14-5)15-16-9-6(11)3-2-4-7(9)12/h2-4H,1H3,(H3,13,14,17)/b16-15+
InChIKeyGAVBWOIDSHVLAA-FOCLMDBBSA-N
XLogP2.99
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.99
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine (CID 170279040) is 4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1/N=N/c1c(F)cccc1F.
What is the InChIKey of 4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine?
The InChIKey is GAVBWOIDSHVLAA-FOCLMDBBSA-N. The full InChI is InChI=1S/C10H9F2N5/c1-5-8(10(13)17-14-5)15-16-9-6(11)3-2-4-7(9)12/h2-4H,1H3,(H3,13,14,17)/b16-15+.
What are the key properties of 4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine?
4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine has a molecular weight of 237.21 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)diazenyl]-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 170279040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).