3-methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine

C11H15F3N4O2 — CID 64754686

IUPAC3-methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
SMILESCc1nn(C2CCC(C(F)(F)F)CC2)c(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H15F3N4O2/c1-6-9(18(19)20)10(15)17(16-6)8-4-2-7(3-5-8)11(12,13)14/h7-8H,2-5,15H2,1H3
InChIKeyRVGWYFLDSPZEJW-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.98
Rot. Bonds2

About 3-methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine

3-methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine (PubChem CID 64754686) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3-methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
PubChem CID64754686
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name3-methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
SMILESCc1nn(C2CCC(C(F)(F)F)CC2)c(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H15F3N4O2/c1-6-9(18(19)20)10(15)17(16-6)8-4-2-7(3-5-8)11(12,13)14/h7-8H,2-5,15H2,1H3
InChIKeyRVGWYFLDSPZEJW-UHFFFAOYSA-N
XLogP2.98
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.98
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

Pyrazole, 5-cyclohexylamino-1,3-dimethyl-4-nitro-
CID 543253
1-(1,3-Dimethyl-4-nitropyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 47213595
3-Methyl-4-nitro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64758831
1-ethyl-3-methyl-4-nitro-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 66011799
3-methyl-4-nitro-1-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 66013302
1-methyl-4-nitro-3-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 66018757
3-methyl-4-nitro-1-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrazol-5-amine
CID 66027157
3-methyl-4-nitro-1-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 66029835
1,3-dimethyl-4-nitro-N-(4,4,4-trifluorobutan-2-yl)pyrazol-5-amine
CID 105940199
1-ethyl-3-methyl-4-nitro-N-(4,4,4-trifluorobutan-2-yl)pyrazol-5-amine
CID 105940214
3-methyl-4-nitro-1-propyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-5-amine
CID 105940215
3-methyl-4-nitro-1-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-5-amine
CID 105940303

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The IUPAC name of 3-methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine (CID 64754686) is 3-methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine.
What is the SMILES notation for 3-methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The canonical SMILES for 3-methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine is Cc1nn(C2CCC(C(F)(F)F)CC2)c(N)c1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The InChIKey is RVGWYFLDSPZEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-6-9(18(19)20)10(15)17(16-6)8-4-2-7(3-5-8)11(12,13)14/h7-8H,2-5,15H2,1H3.
What are the key properties of 3-methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
3-methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine has a molecular weight of 292.26 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine is sourced from PubChem (CID 64754686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).