2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol

C15H11N3O3 — CID 3702104

IUPAC2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol
SMILESO=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C15H11N3O3/c19-15-8-4-2-6-11(15)13-9-12(16-17-13)10-5-1-3-7-14(10)18(20)21/h1-9,19H,(H,16,17)
InChIKeyQZUSBOXKBMDUQQ-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.36
Rot. Bonds3

About 2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol

2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol (PubChem CID 3702104) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol
PubChem CID3702104
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol
SMILESO=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C15H11N3O3/c19-15-8-4-2-6-11(15)13-9-12(16-17-13)10-5-1-3-7-14(10)18(20)21/h1-9,19H,(H,16,17)
InChIKeyQZUSBOXKBMDUQQ-UHFFFAOYSA-N
XLogP3.36
TPSA92.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methylsulfanyl-5-(2-nitrophenyl)-1H-pyrazole
CID 21271858
3-(4-methoxyphenyl)-5-(2-nitrophenyl)-1H-pyrazole
CID 71743082
2-methyl-1-[3-(2-nitrophenyl)-1H-pyrazol-5-yl]butan-1-one;propane
CID 145204549
2,4,6-trinitro-3-(2-nitrophenyl)phenol
CID 22345898
2-[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 136622086
3,6-bis(2-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 134109320
2-[5-nitro-6-(trifluoromethyl)-2-pyridinyl]phenol
CID 174575917
disodium;hydride;2-nitrophenol
CID 174745512
methanol;2-nitrophenol
CID 157303764
4-chloro-2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol
CID 685709
2-(5,7-dinitro-1H-indol-2-yl)phenol
CID 11779476
2-hydroxy-4-(2-nitrophenyl)benzenesulfonic acid
CID 88697848

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol (CID 3702104) is 2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol is O=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2O)n[nH]1.
What is the InChIKey of 2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is QZUSBOXKBMDUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-15-8-4-2-6-11(15)13-9-12(16-17-13)10-5-1-3-7-14(10)18(20)21/h1-9,19H,(H,16,17).
What are the key properties of 2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol?
2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 281.27 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-nitrophenyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 3702104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).