1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine

C14H24N4O2 — CID 66011038

IUPAC1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine
SMILESCCC1CCC(Nc2c([N+](=O)[O-])c(C)nn2CC)CC1
InChIInChI=1S/C14H24N4O2/c1-4-11-6-8-12(9-7-11)15-14-13(18(19)20)10(3)16-17(14)5-2/h11-12,15H,4-9H2,1-3H3
InChIKeyPMAIXTQXJPZHMI-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.50
Rot. Bonds5

About 1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine

1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine (PubChem CID 66011038) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine
PubChem CID66011038
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine
SMILESCCC1CCC(Nc2c([N+](=O)[O-])c(C)nn2CC)CC1
InChIInChI=1S/C14H24N4O2/c1-4-11-6-8-12(9-7-11)15-14-13(18(19)20)10(3)16-17(14)5-2/h11-12,15H,4-9H2,1-3H3
InChIKeyPMAIXTQXJPZHMI-UHFFFAOYSA-N
XLogP3.50
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine?
The IUPAC name of 1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine (CID 66011038) is 1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine.
What is the SMILES notation for 1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine?
The canonical SMILES for 1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine is CCC1CCC(Nc2c([N+](=O)[O-])c(C)nn2CC)CC1.
What is the InChIKey of 1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine?
The InChIKey is PMAIXTQXJPZHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-11-6-8-12(9-7-11)15-14-13(18(19)20)10(3)16-17(14)5-2/h11-12,15H,4-9H2,1-3H3.
What are the key properties of 1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine?
1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine has a molecular weight of 280.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 66011038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).