1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol

C11H16F3N3O3 — CID 156823470

IUPAC1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol
SMILESCO.O=[N+]([O-])c1cn(C2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C10H12F3N3O2.CH4O/c11-10(12,13)9-8(16(17)18)6-15(14-9)7-4-2-1-3-5-7;1-2/h6-7H,1-5H2;2H,1H3
InChIKeyYWNKHMQHBFFMQO-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.92
Rot. Bonds2

About 1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol

1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol (PubChem CID 156823470) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol.

Molecular Properties

Compound Name1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol
PubChem CID156823470
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol
SMILESCO.O=[N+]([O-])c1cn(C2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C10H12F3N3O2.CH4O/c11-10(12,13)9-8(16(17)18)6-15(14-9)7-4-2-1-3-5-7;1-2/h6-7H,1-5H2;2H,1H3
InChIKeyYWNKHMQHBFFMQO-UHFFFAOYSA-N
XLogP2.92
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.92
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

3-[4-nitro-3-(trifluoromethyl)pyrazol-1-yl]cyclobutan-1-ol
CID 122638755
1-[4-[3-(2-hydroxypropan-2-yl)-4-nitropyrazol-1-yl]cyclohexyl]ethanone
CID 170367480
4-bromo-1-cyclopentyl-3-(trifluoromethyl)pyrazole
CID 72698457
2-(1-cyclohexyl-4-nitropyrazol-3-yl)pyridine;ethanol
CID 145176619
5-chloro-1-cycloheptyl-4-nitro-3-(trifluoromethyl)pyrazole
CID 66023050
1-ethyl-4-nitro-3-(trifluoromethyl)pyrazole
CID 97182144
1-cyclobutyl-3-(trifluoromethyl)pyrazol-4-amine
CID 162341282
N-[[1-cyclohexyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]formamide
CID 122490238
3-tert-butyl-1-cyclohexylpyrazole-4-carboxylic acid
CID 61270272
3-iodo-4-nitro-1-(oxan-4-yl)pyrazole
CID 122684246
4-(3-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
CID 172561235
1-cyclopropyl-3-(trifluoromethyl)pyrazol-4-amine
CID 122516569

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol?
The IUPAC name of 1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol (CID 156823470) is 1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol.
What is the SMILES notation for 1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol?
The canonical SMILES for 1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol is CO.O=[N+]([O-])c1cn(C2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol?
The InChIKey is YWNKHMQHBFFMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2.CH4O/c11-10(12,13)9-8(16(17)18)6-15(14-9)7-4-2-1-3-5-7;1-2/h6-7H,1-5H2;2H,1H3.
What are the key properties of 1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol?
1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol has a molecular weight of 295.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-nitro-3-(trifluoromethyl)pyrazole;methanol is sourced from PubChem (CID 156823470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).