[1-(4-nitropyrazol-1-yl)cyclopropyl]methanol

C7H9N3O3 — CID 91619134

IUPAC[1-(4-nitropyrazol-1-yl)cyclopropyl]methanol
SMILESO=[N+]([O-])c1cnn(C2(CO)CC2)c1
InChIInChI=1S/C7H9N3O3/c11-5-7(1-2-7)9-4-6(3-8-9)10(12)13/h3-4,11H,1-2,5H2
InChIKeyRDIVFTWWKNWIMA-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.27
Rot. Bonds3

About [1-(4-nitropyrazol-1-yl)cyclopropyl]methanol

[1-(4-nitropyrazol-1-yl)cyclopropyl]methanol (PubChem CID 91619134) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is [1-(4-nitropyrazol-1-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(4-nitropyrazol-1-yl)cyclopropyl]methanol
PubChem CID91619134
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name[1-(4-nitropyrazol-1-yl)cyclopropyl]methanol
SMILESO=[N+]([O-])c1cnn(C2(CO)CC2)c1
InChIInChI=1S/C7H9N3O3/c11-5-7(1-2-7)9-4-6(3-8-9)10(12)13/h3-4,11H,1-2,5H2
InChIKeyRDIVFTWWKNWIMA-UHFFFAOYSA-N
XLogP0.27
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.27
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

4-benzyl-2,6-dimethyl-4-(4-nitropyrazol-1-yl)piperidine
CID 175143177
[3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol
CID 66765542
4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol
CID 75432641
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 104630428
tert-butyl 3-(cyanomethyl)-3-(4-nitropyrazol-1-yl)azetidine-1-carboxylate
CID 163210492
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 62527735
1-[[[2-(4-nitropyrazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544470
(2R)-2-(4-nitropyrazol-1-yl)butanoic acid
CID 7017284
N-(1,2-dimethylcyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 122152287
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
(2R)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 54990888
2-(4-nitropyrazol-1-yl)ethanamine
CID 7017136

Frequently Asked Questions

What is the IUPAC name of [1-(4-nitropyrazol-1-yl)cyclopropyl]methanol?
The IUPAC name of [1-(4-nitropyrazol-1-yl)cyclopropyl]methanol (CID 91619134) is [1-(4-nitropyrazol-1-yl)cyclopropyl]methanol.
What is the SMILES notation for [1-(4-nitropyrazol-1-yl)cyclopropyl]methanol?
The canonical SMILES for [1-(4-nitropyrazol-1-yl)cyclopropyl]methanol is O=[N+]([O-])c1cnn(C2(CO)CC2)c1.
What is the InChIKey of [1-(4-nitropyrazol-1-yl)cyclopropyl]methanol?
The InChIKey is RDIVFTWWKNWIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-5-7(1-2-7)9-4-6(3-8-9)10(12)13/h3-4,11H,1-2,5H2.
What are the key properties of [1-(4-nitropyrazol-1-yl)cyclopropyl]methanol?
[1-(4-nitropyrazol-1-yl)cyclopropyl]methanol has a molecular weight of 183.17 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-nitropyrazol-1-yl)cyclopropyl]methanol is sourced from PubChem (CID 91619134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).