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

C11H15F3N4O2 — CID 64758831

IUPAC3-methyl-4-nitro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
SMILESCc1nn(C2CCCC(C(F)(F)F)C2)c(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H15F3N4O2/c1-6-9(18(19)20)10(15)17(16-6)8-4-2-3-7(5-8)11(12,13)14/h7-8H,2-5,15H2,1H3
InChIKeyNHDQYSMAHMQHQT-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.98
Rot. Bonds2

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

3-methyl-4-nitro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine (PubChem CID 64758831) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 3-methyl-4-nitro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-nitro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
PubChem CID64758831
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC Name3-methyl-4-nitro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
SMILESCc1nn(C2CCCC(C(F)(F)F)C2)c(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H15F3N4O2/c1-6-9(18(19)20)10(15)17(16-6)8-4-2-3-7(5-8)11(12,13)14/h7-8H,2-5,15H2,1H3
InChIKeyNHDQYSMAHMQHQT-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'}

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The IUPAC name of 3-methyl-4-nitro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine (CID 64758831) is 3-methyl-4-nitro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine.
What is the SMILES notation for 3-methyl-4-nitro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The canonical SMILES for 3-methyl-4-nitro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine is Cc1nn(C2CCCC(C(F)(F)F)C2)c(N)c1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-nitro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
The InChIKey is NHDQYSMAHMQHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-6-9(18(19)20)10(15)17(16-6)8-4-2-3-7(5-8)11(12,13)14/h7-8H,2-5,15H2,1H3.
What are the key properties of 3-methyl-4-nitro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine?
3-methyl-4-nitro-1-[3-(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-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine is sourced from PubChem (CID 64758831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).