1-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine

C13H22N4O2 — CID 66012476

IUPAC1-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine
SMILESCCNC(Cc1c([N+](=O)[O-])c(C)nn1CC)C1CC1
InChIInChI=1S/C13H22N4O2/c1-4-14-11(10-6-7-10)8-12-13(17(18)19)9(3)15-16(12)5-2/h10-11,14H,4-8H2,1-3H3
InChIKeyLGKRADYXXDNWCB-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.05
Rot. Bonds7

About 1-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine

1-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine (PubChem CID 66012476) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine
PubChem CID66012476
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine
SMILESCCNC(Cc1c([N+](=O)[O-])c(C)nn1CC)C1CC1
InChIInChI=1S/C13H22N4O2/c1-4-14-11(10-6-7-10)8-12-13(17(18)19)9(3)15-16(12)5-2/h10-11,14H,4-8H2,1-3H3
InChIKeyLGKRADYXXDNWCB-UHFFFAOYSA-N
XLogP2.05
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.05
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-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine (CID 66012476) is 1-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine is CCNC(Cc1c([N+](=O)[O-])c(C)nn1CC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine?
The InChIKey is LGKRADYXXDNWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-14-11(10-6-7-10)8-12-13(17(18)19)9(3)15-16(12)5-2/h10-11,14H,4-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine?
1-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine has a molecular weight of 266.34 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)ethanamine is sourced from PubChem (CID 66012476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).