1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine

C15H26N4O2 — CID 103967180

IUPAC1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine
SMILESCc1nn(C)c(NC2CC(C)(C)CC(C)(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H26N4O2/c1-10-12(19(20)21)13(18(6)17-10)16-11-7-14(2,3)9-15(4,5)8-11/h11,16H,7-9H2,1-6H3
InChIKeyWZLFMEGKGWYWQP-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.65
Rot. Bonds3

About 1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine

1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine (PubChem CID 103967180) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine
PubChem CID103967180
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine
SMILESCc1nn(C)c(NC2CC(C)(C)CC(C)(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H26N4O2/c1-10-12(19(20)21)13(18(6)17-10)16-11-7-14(2,3)9-15(4,5)8-11/h11,16H,7-9H2,1-6H3
InChIKeyWZLFMEGKGWYWQP-UHFFFAOYSA-N
XLogP3.65
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.65
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

1,3-dimethyl-4-nitro-N-pyrrolidin-3-ylpyrazol-5-amine
CID 62381165
(1,3-dimethyl-4-nitropyrazol-5-yl)hydrazine
CID 3537257
1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine
CID 103724978
trans-(1R,2R)-2-N-(1,3-dimethyl-4-nitropyrazol-5-yl)cyclohexane-1,2-diamine
CID 93453939
N-(3-ethylsulfinylcyclohexyl)-1,3-dimethyl-4-nitropyrazol-5-amine
CID 122147206
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83209373
N-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 83037075
N-[1-(1H-benzimidazol-2-yl)azetidin-3-yl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 167860443
1-N'-(1,3-dimethyl-4-nitropyrazol-5-yl)ethane-1,1-diamine
CID 139771367
N-(azetidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66188441
N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66014763
[4-[(1,3-dimethyl-4-nitropyrazol-5-yl)amino]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 55827795

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine (CID 103967180) is 1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine is Cc1nn(C)c(NC2CC(C)(C)CC(C)(C)C2)c1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine?
The InChIKey is WZLFMEGKGWYWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10-12(19(20)21)13(18(6)17-10)16-11-7-14(2,3)9-15(4,5)8-11/h11,16H,7-9H2,1-6H3.
What are the key properties of 1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine?
1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine has a molecular weight of 294.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-nitro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazol-5-amine is sourced from PubChem (CID 103967180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).