1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide

C28H29N5O2 — CID 166633107

IUPAC1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2cccc(/N=N/c3ccccc3)c2)nn(CCCCCO)c1-c1ccccc1
InChIInChI=1S/C28H29N5O2/c1-21-26(32-33(18-9-4-10-19-34)27(21)22-12-5-2-6-13-22)28(35)29-24-16-11-17-25(20-24)31-30-23-14-7-3-8-15-23/h2-3,5-8,11-17,20,34H,4,9-10,18-19H2,1H3,(H,29,35)/b31-30+
InChIKeyBLXCDDXHZGXKFR-NVQSTNCTSA-N
MW467.57 g/mol
LogP6.69
Rot. Bonds10

About 1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide

1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide (PubChem CID 166633107) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide
PubChem CID166633107
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2cccc(/N=N/c3ccccc3)c2)nn(CCCCCO)c1-c1ccccc1
InChIInChI=1S/C28H29N5O2/c1-21-26(32-33(18-9-4-10-19-34)27(21)22-12-5-2-6-13-22)28(35)29-24-16-11-17-25(20-24)31-30-23-14-7-3-8-15-23/h2-3,5-8,11-17,20,34H,4,9-10,18-19H2,1H3,(H,29,35)/b31-30+
InChIKeyBLXCDDXHZGXKFR-NVQSTNCTSA-N
XLogP6.69
TPSA91.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide (CID 166633107) is 1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide is Cc1c(C(=O)Nc2cccc(/N=N/c3ccccc3)c2)nn(CCCCCO)c1-c1ccccc1.
What is the InChIKey of 1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide?
The InChIKey is BLXCDDXHZGXKFR-NVQSTNCTSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-21-26(32-33(18-9-4-10-19-34)27(21)22-12-5-2-6-13-22)28(35)29-24-16-11-17-25(20-24)31-30-23-14-7-3-8-15-23/h2-3,5-8,11-17,20,34H,4,9-10,18-19H2,1H3,(H,29,35)/b31-30+.
What are the key properties of 1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide?
1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 6.69, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)-4-methyl-5-phenyl-N-(3-phenyldiazenylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 166633107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).