[1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol

C10H8BrN3O3 — CID 79767408

IUPAC[1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol
SMILESO=[N+]([O-])c1cc(-n2ccc(CO)n2)ccc1Br
InChIInChI=1S/C10H8BrN3O3/c11-9-2-1-8(5-10(9)14(16)17)13-4-3-7(6-15)12-13/h1-5,15H,6H2
InChIKeyCZZMFTOPBXXDCD-UHFFFAOYSA-N
MW298.10 g/mol
LogP2.04
Rot. Bonds3

About [1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol

[1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol (PubChem CID 79767408) has the molecular formula C10H8BrN3O3 and a molecular weight of 298.10 g/mol. Its IUPAC name is [1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol
PubChem CID79767408
Molecular FormulaC10H8BrN3O3
Molecular Weight298.10 g/mol
Exact Mass296.97
IUPAC Name[1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol
SMILESO=[N+]([O-])c1cc(-n2ccc(CO)n2)ccc1Br
InChIInChI=1S/C10H8BrN3O3/c11-9-2-1-8(5-10(9)14(16)17)13-4-3-7(6-15)12-13/h1-5,15H,6H2
InChIKeyCZZMFTOPBXXDCD-UHFFFAOYSA-N
XLogP2.04
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[1-(4-bromo-3-nitrophenyl)triazol-4-yl]ethanamine
CID 116641621
2-[1-[4-nitro-3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid
CID 169091581
1-(3-fluoro-4-nitrophenyl)pyrazol-3-amine
CID 102943043
N-[[1-(3-fluoro-4-nitrophenyl)pyrazol-3-yl]methyl]propan-1-amine
CID 82844452
[1-(4-methyl-3-nitrophenyl)triazol-4-yl]methanol
CID 62399938
1-(4-bromo-3-nitrophenyl)-4-(1-bromopropyl)triazole
CID 113482833
N-[[1-(3-chloro-4-nitrophenyl)pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 82866046
3-(chloromethyl)-1-(4-nitrophenyl)pyrazole
CID 13384024
1-(4-bromo-3-nitrophenyl)-4-hydroxypyrrolidin-2-one
CID 79767866
1-(3-chloro-4-nitrophenyl)pyrazole-3-carboxylic acid
CID 82864853
4-(bromomethyl)-1-(4-bromo-3-nitrophenyl)pyrrolidin-2-one
CID 168505528
1-bromo-4-chloro-2-nitrobenzene
CID 2794904

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol?
The IUPAC name of [1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol (CID 79767408) is [1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol is O=[N+]([O-])c1cc(-n2ccc(CO)n2)ccc1Br.
What is the InChIKey of [1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol?
The InChIKey is CZZMFTOPBXXDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O3/c11-9-2-1-8(5-10(9)14(16)17)13-4-3-7(6-15)12-13/h1-5,15H,6H2.
What are the key properties of [1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol?
[1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol has a molecular weight of 298.10 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-nitrophenyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 79767408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).