5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine

C9H9N3O2 — CID 163569629

IUPAC5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(OO)cc2)[nH]n1
InChIInChI=1S/C9H9N3O2/c10-9-5-8(11-12-9)6-1-3-7(14-13)4-2-6/h1-5,13H,(H3,10,11,12)
InChIKeyFYEREXLEHBLBHY-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.51
Rot. Bonds2

About 5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine

5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 163569629) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine
PubChem CID163569629
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(OO)cc2)[nH]n1
InChIInChI=1S/C9H9N3O2/c10-9-5-8(11-12-9)6-1-3-7(14-13)4-2-6/h1-5,13H,(H3,10,11,12)
InChIKeyFYEREXLEHBLBHY-UHFFFAOYSA-N
XLogP1.51
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
CID 3707491
5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine
CID 117309554
5-(3-amino-1H-pyrazol-5-yl)-2-methoxyphenol
CID 130019057
5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine
CID 18526074
5-(4-benzylphenyl)-1H-pyrazol-3-amine
CID 3651142
5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine
CID 117293401
5-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117494004
3-(3-amino-1H-pyrazol-5-yl)phenol
CID 55253217
5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine
CID 115111529
5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3614347
5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine
CID 117365790
5-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-3-amine
CID 117304019

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine (CID 163569629) is 5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine is Nc1cc(-c2ccc(OO)cc2)[nH]n1.
What is the InChIKey of 5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is FYEREXLEHBLBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c10-9-5-8(11-12-9)6-1-3-7(14-13)4-2-6/h1-5,13H,(H3,10,11,12).
What are the key properties of 5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine?
5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 191.19 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 163569629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).