6-(4-nitropyrazol-1-yl)hexan-2-ol

C9H15N3O3 — CID 66928671

IUPAC6-(4-nitropyrazol-1-yl)hexan-2-ol
SMILESCC(O)CCCCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C9H15N3O3/c1-8(13)4-2-3-5-11-7-9(6-10-11)12(14)15/h6-8,13H,2-5H2,1H3
InChIKeyQVXXMMIVMFACSD-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.34
Rot. Bonds6

About 6-(4-nitropyrazol-1-yl)hexan-2-ol

6-(4-nitropyrazol-1-yl)hexan-2-ol (PubChem CID 66928671) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-(4-nitropyrazol-1-yl)hexan-2-ol.

Molecular Properties

Compound Name6-(4-nitropyrazol-1-yl)hexan-2-ol
PubChem CID66928671
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name6-(4-nitropyrazol-1-yl)hexan-2-ol
SMILESCC(O)CCCCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C9H15N3O3/c1-8(13)4-2-3-5-11-7-9(6-10-11)12(14)15/h6-8,13H,2-5H2,1H3
InChIKeyQVXXMMIVMFACSD-UHFFFAOYSA-N
XLogP1.34
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-1-octylpyrazole
CID 50999936
1-butyl-4-nitropyrazole
CID 50999673
4-nitro-1-(5-pyrazol-1-ylpentyl)pyrazole
CID 154229757
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227
2-(4-nitropyrazol-1-yl)ethanamine
CID 7017136
fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole
CID 176710740
N-[1-(4-chlorophenyl)ethyl]-4-(4-nitropyrazol-1-yl)butanamide
CID 178068162
N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide
CID 1259508
N-(1-aminopropan-2-yl)-N-methyl-3-(4-nitropyrazol-1-yl)propanamide;hydrochloride
CID 119583121
2-methyl-3-(4-nitropyrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19564188
N-(2-methylsulfanylphenyl)-4-(4-nitropyrazol-1-yl)butanamide
CID 5306322
1-(4-nitropyrazol-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 43166033

Frequently Asked Questions

What is the IUPAC name of 6-(4-nitropyrazol-1-yl)hexan-2-ol?
The IUPAC name of 6-(4-nitropyrazol-1-yl)hexan-2-ol (CID 66928671) is 6-(4-nitropyrazol-1-yl)hexan-2-ol.
What is the SMILES notation for 6-(4-nitropyrazol-1-yl)hexan-2-ol?
The canonical SMILES for 6-(4-nitropyrazol-1-yl)hexan-2-ol is CC(O)CCCCn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 6-(4-nitropyrazol-1-yl)hexan-2-ol?
The InChIKey is QVXXMMIVMFACSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-8(13)4-2-3-5-11-7-9(6-10-11)12(14)15/h6-8,13H,2-5H2,1H3.
What are the key properties of 6-(4-nitropyrazol-1-yl)hexan-2-ol?
6-(4-nitropyrazol-1-yl)hexan-2-ol has a molecular weight of 213.24 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitropyrazol-1-yl)hexan-2-ol is sourced from PubChem (CID 66928671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).