3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine

C13H22N4O2 — CID 79362830

IUPAC3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine
SMILESCCc1nn(C)c(NC2C(C)(C)C2(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C13H22N4O2/c1-7-8-9(17(18)19)10(16(6)15-8)14-11-12(2,3)13(11,4)5/h11,14H,7H2,1-6H3
InChIKeyFNVLDVWEBACXKN-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.74
Rot. Bonds4

About 3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine

3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine (PubChem CID 79362830) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine
PubChem CID79362830
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine
SMILESCCc1nn(C)c(NC2C(C)(C)C2(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C13H22N4O2/c1-7-8-9(17(18)19)10(16(6)15-8)14-11-12(2,3)13(11,4)5/h11,14H,7H2,1-6H3
InChIKeyFNVLDVWEBACXKN-UHFFFAOYSA-N
XLogP2.74
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.74
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 3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine (CID 79362830) is 3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine is CCc1nn(C)c(NC2C(C)(C)C2(C)C)c1[N+](=O)[O-].
What is the InChIKey of 3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine?
The InChIKey is FNVLDVWEBACXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-7-8-9(17(18)19)10(16(6)15-8)14-11-12(2,3)13(11,4)5/h11,14H,7H2,1-6H3.
What are the key properties of 3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine?
3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine has a molecular weight of 266.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine is sourced from PubChem (CID 79362830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).