4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol

C11H17N3O3 — CID 75432641

IUPAC4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(Cn2cc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C11H17N3O3/c1-9-2-4-11(15,5-3-9)8-13-7-10(6-12-13)14(16)17/h6-7,9,15H,2-5,8H2,1H3
InChIKeyVMKNZMLATMEIAM-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.73
Rot. Bonds3

About 4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol

4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol (PubChem CID 75432641) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol
PubChem CID75432641
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(Cn2cc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C11H17N3O3/c1-9-2-4-11(15,5-3-9)8-13-7-10(6-12-13)14(16)17/h6-7,9,15H,2-5,8H2,1H3
InChIKeyVMKNZMLATMEIAM-UHFFFAOYSA-N
XLogP1.73
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.73
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'}

Analyze 4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-nitropyridin-2-one
CID 75361820
N-(1,2-dimethylcyclohexyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 122152287
[3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol
CID 66765542
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 62527735
[1-(4-nitropyrazol-1-yl)cyclopropyl]methanol
CID 91619134
2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine
CID 75483001
4-methyl-1-[(3-nitroanilino)methyl]cyclohexan-1-ol
CID 65118172
1-[(3-methylcyclopentyl)amino]-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 114545822
3-methyl-1-[2-(4-nitropyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 102775407
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-nitropyrazol-1-yl)ethanone
CID 700883
1-butyl-4-nitropyrazole
CID 50999673
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 111488278

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol (CID 75432641) is 4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol is CC1CCC(O)(Cn2cc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of 4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is VMKNZMLATMEIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-9-2-4-11(15,5-3-9)8-13-7-10(6-12-13)14(16)17/h6-7,9,15H,2-5,8H2,1H3.
What are the key properties of 4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol?
4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 239.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 75432641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).