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'}

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Related Compounds

1-(Cyclohexylmethyl)-4-nitro-1H-pyrazole
CID 51000344
1-Methyl-2-(4-nitropyrazol-1-yl)cyclopentan-1-ol
CID 118288755
4-Amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol;hydrochloride
CID 118417837
4-Amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol
CID 118417838
4-(Chloroamino)-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol
CID 118425834
1-(4-Nitropyrazol-1-yl)cyclohexan-1-ol
CID 118456680
4-Nitro-1-(2,2,6,6-tetramethyltetrahydro-2H-pyran-4-yl)-1H-pyrazole
CID 118466935
2-Methyl-1-[4-(4-nitropyrazol-1-yl)piperidin-1-yl]propan-2-ol
CID 142395498
4-Amino-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol;ethane
CID 144940875
1-(2-Methylcyclohexyl)-4-nitropyrazole
CID 146481303
4,4-Dimethyl-1-(4-nitropyrazol-1-yl)hexan-2-ol
CID 152475606
1-(4-Methylcyclohexyl)-4-nitropyrazole
CID 153959556

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).