trans-(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol

C8H11N3O3 — CID 102735014

IUPACtrans-(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol
SMILESO=[N+]([O-])c1cnn([C@@H]2CCC[C@H]2O)c1
InChIInChI=1S/C8H11N3O3/c12-8-3-1-2-7(8)10-5-6(4-9-10)11(13)14/h4-5,7-8,12H,1-3H2/t7-,8-/m1/s1
InChIKeyGMMDMYGCQBKABZ-HTQZYQBOSA-N
MW197.19 g/mol
LogP0.88
Rot. Bonds2

About trans-(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol

trans-(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol (PubChem CID 102735014) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol
PubChem CID102735014
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Nametrans-(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol
SMILESO=[N+]([O-])c1cnn([C@@H]2CCC[C@H]2O)c1
InChIInChI=1S/C8H11N3O3/c12-8-3-1-2-7(8)10-5-6(4-9-10)11(13)14/h4-5,7-8,12H,1-3H2/t7-,8-/m1/s1
InChIKeyGMMDMYGCQBKABZ-HTQZYQBOSA-N
XLogP0.88
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.88
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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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol (CID 102735014) is trans-(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol is O=[N+]([O-])c1cnn([C@@H]2CCC[C@H]2O)c1.
What is the InChIKey of trans-(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol?
The InChIKey is GMMDMYGCQBKABZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-8-3-1-2-7(8)10-5-6(4-9-10)11(13)14/h4-5,7-8,12H,1-3H2/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol?
trans-(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol has a molecular weight of 197.19 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 102735014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).