2-(3,5-diethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol

C13H21N3O3 — CID 82702463

IUPAC2-(3,5-diethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol
SMILESCCc1nn(C2CCCCC2O)c(CC)c1[N+](=O)[O-]
InChIInChI=1S/C13H21N3O3/c1-3-9-13(16(18)19)10(4-2)15(14-9)11-7-5-6-8-12(11)17/h11-12,17H,3-8H2,1-2H3
InChIKeyQWOPCBPBHISQNX-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.39
Rot. Bonds4

About 2-(3,5-diethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol

2-(3,5-diethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol (PubChem CID 82702463) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3,5-diethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3,5-diethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol
PubChem CID82702463
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(3,5-diethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol
SMILESCCc1nn(C2CCCCC2O)c(CC)c1[N+](=O)[O-]
InChIInChI=1S/C13H21N3O3/c1-3-9-13(16(18)19)10(4-2)15(14-9)11-7-5-6-8-12(11)17/h11-12,17H,3-8H2,1-2H3
InChIKeyQWOPCBPBHISQNX-UHFFFAOYSA-N
XLogP2.39
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.39
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

trans-(1S,2S)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol
CID 102732374
1-cyclopropyl-2-(3,5-diethyl-4-nitropyrazol-1-yl)ethanone
CID 82702620
1-(azetidin-3-ylmethyl)-3,5-diethyl-4-nitropyrazole
CID 112745302
1-[2-(azetidin-3-yl)ethyl]-3,5-diethyl-4-nitropyrazole
CID 107391393
N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66015162
1-(3,5-diethyl-4-nitropyrazol-1-yl)-3-methylbutan-2-one
CID 82702460
N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine
CID 133423374
1-amino-3-(3,5-diethyl-4-nitropyrazol-1-yl)propan-2-ol
CID 82702198
4-[(3,5-diethyl-4-nitropyrazol-1-yl)methyl]piperidin-4-ol
CID 82702221
trans-(1S,2S)-2-(3,5-dinitro-1,2,4-triazol-1-yl)cyclohexan-1-ol
CID 7206708
6-(3,5-diethyl-4-nitropyrazol-1-yl)hexane-1-thiol
CID 82702085
3-(3,5-diethyl-4-nitropyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 82702155

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 2-(3,5-diethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol (CID 82702463) is 2-(3,5-diethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(3,5-diethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(3,5-diethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol is CCc1nn(C2CCCCC2O)c(CC)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-diethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is QWOPCBPBHISQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-9-13(16(18)19)10(4-2)15(14-9)11-7-5-6-8-12(11)17/h11-12,17H,3-8H2,1-2H3.
What are the key properties of 2-(3,5-diethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol?
2-(3,5-diethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-4-nitropyrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 82702463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).