1-(4-nitropyrazol-1-yl)cyclohexan-1-ol

C9H13N3O3 — CID 118456680

IUPAC1-(4-nitropyrazol-1-yl)cyclohexan-1-ol
SMILESO=[N+]([O-])c1cnn(C2(O)CCCCC2)c1
InChIInChI=1S/C9H13N3O3/c13-9(4-2-1-3-5-9)11-7-8(6-10-11)12(14)15/h6-7,13H,1-5H2
InChIKeyJJCPWCHZRATNGW-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.40
Rot. Bonds2

About 1-(4-nitropyrazol-1-yl)cyclohexan-1-ol

1-(4-nitropyrazol-1-yl)cyclohexan-1-ol (PubChem CID 118456680) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(4-nitropyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-nitropyrazol-1-yl)cyclohexan-1-ol
PubChem CID118456680
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name1-(4-nitropyrazol-1-yl)cyclohexan-1-ol
SMILESO=[N+]([O-])c1cnn(C2(O)CCCCC2)c1
InChIInChI=1S/C9H13N3O3/c13-9(4-2-1-3-5-9)11-7-8(6-10-11)12(14)15/h6-7,13H,1-5H2
InChIKeyJJCPWCHZRATNGW-UHFFFAOYSA-N
XLogP1.40
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.40
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 1-(4-nitropyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 1-(4-nitropyrazol-1-yl)cyclohexan-1-ol (CID 118456680) is 1-(4-nitropyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4-nitropyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(4-nitropyrazol-1-yl)cyclohexan-1-ol is O=[N+]([O-])c1cnn(C2(O)CCCCC2)c1.
What is the InChIKey of 1-(4-nitropyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is JJCPWCHZRATNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-9(4-2-1-3-5-9)11-7-8(6-10-11)12(14)15/h6-7,13H,1-5H2.
What are the key properties of 1-(4-nitropyrazol-1-yl)cyclohexan-1-ol?
1-(4-nitropyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 211.22 g/mol, XLogP of 1.40, 2 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)cyclohexan-1-ol is sourced from PubChem (CID 118456680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).