[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methanol

C11H9N5O3 — CID 136609013

IUPAC[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methanol
SMILESO=[N+]([O-])c1cn[nH]c1-c1nc2ccc(CO)cc2[nH]1
InChIInChI=1S/C11H9N5O3/c17-5-6-1-2-7-8(3-6)14-11(13-7)10-9(16(18)19)4-12-15-10/h1-4,17H,5H2,(H,12,15)(H,13,14)
InChIKeyFSVIZZZPIOUWBN-UHFFFAOYSA-N
MW259.22 g/mol
LogP1.35
Rot. Bonds3

About [2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methanol

[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methanol (PubChem CID 136609013) has the molecular formula C11H9N5O3 and a molecular weight of 259.22 g/mol. Its IUPAC name is [2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methanol
PubChem CID136609013
Molecular FormulaC11H9N5O3
Molecular Weight259.22 g/mol
Exact Mass259.07
IUPAC Name[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methanol
SMILESO=[N+]([O-])c1cn[nH]c1-c1nc2ccc(CO)cc2[nH]1
InChIInChI=1S/C11H9N5O3/c17-5-6-1-2-7-8(3-6)14-11(13-7)10-9(16(18)19)4-12-15-10/h1-4,17H,5H2,(H,12,15)(H,13,14)
InChIKeyFSVIZZZPIOUWBN-UHFFFAOYSA-N
XLogP1.35
TPSA120.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 51.35
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of [2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methanol?
The IUPAC name of [2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methanol (CID 136609013) is [2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methanol.
What is the SMILES notation for [2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methanol?
The canonical SMILES for [2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methanol is O=[N+]([O-])c1cn[nH]c1-c1nc2ccc(CO)cc2[nH]1.
What is the InChIKey of [2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methanol?
The InChIKey is FSVIZZZPIOUWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O3/c17-5-6-1-2-7-8(3-6)14-11(13-7)10-9(16(18)19)4-12-15-10/h1-4,17H,5H2,(H,12,15)(H,13,14).
What are the key properties of [2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methanol?
[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methanol has a molecular weight of 259.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 136609013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).