4-[[2-(difluoromethoxy)phenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-amine

C17H15F2N5O — CID 3671188

IUPAC4-[[2-(difluoromethoxy)phenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-amine
SMILESCc1nn(-c2ccccc2)c(N)c1/N=N/c1ccccc1OC(F)F
InChIInChI=1S/C17H15F2N5O/c1-11-15(16(20)24(23-11)12-7-3-2-4-8-12)22-21-13-9-5-6-10-14(13)25-17(18)19/h2-10,17H,20H2,1H3/b22-21+
InChIKeyPAHBABQSXQFCJT-QURGRASLSA-N
MW343.34 g/mol
LogP4.78
Rot. Bonds5

About 4-[[2-(difluoromethoxy)phenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-amine

4-[[2-(difluoromethoxy)phenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-amine (PubChem CID 3671188) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is 4-[[2-(difluoromethoxy)phenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[2-(difluoromethoxy)phenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-amine
PubChem CID3671188
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name4-[[2-(difluoromethoxy)phenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-amine
SMILESCc1nn(-c2ccccc2)c(N)c1/N=N/c1ccccc1OC(F)F
InChIInChI=1S/C17H15F2N5O/c1-11-15(16(20)24(23-11)12-7-3-2-4-8-12)22-21-13-9-5-6-10-14(13)25-17(18)19/h2-10,17H,20H2,1H3/b22-21+
InChIKeyPAHBABQSXQFCJT-QURGRASLSA-N
XLogP4.78
TPSA77.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(difluoromethoxy)phenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-amine?
The IUPAC name of 4-[[2-(difluoromethoxy)phenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-amine (CID 3671188) is 4-[[2-(difluoromethoxy)phenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-[[2-(difluoromethoxy)phenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-[[2-(difluoromethoxy)phenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-amine is Cc1nn(-c2ccccc2)c(N)c1/N=N/c1ccccc1OC(F)F.
What is the InChIKey of 4-[[2-(difluoromethoxy)phenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-amine?
The InChIKey is PAHBABQSXQFCJT-QURGRASLSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-11-15(16(20)24(23-11)12-7-3-2-4-8-12)22-21-13-9-5-6-10-14(13)25-17(18)19/h2-10,17H,20H2,1H3/b22-21+.
What are the key properties of 4-[[2-(difluoromethoxy)phenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-amine?
4-[[2-(difluoromethoxy)phenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-amine has a molecular weight of 343.34 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethoxy)phenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-amine is sourced from PubChem (CID 3671188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).