1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine

C13H16N4O2 — CID 43543284

IUPAC1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine
SMILESCCn1cc(NC(C)c2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H16N4O2/c1-3-16-9-11(8-14-16)15-10(2)12-6-4-5-7-13(12)17(18)19/h4-10,15H,3H2,1-2H3
InChIKeyYAPWRQUWMMLPIG-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.98
Rot. Bonds5

About 1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine

1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine (PubChem CID 43543284) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine
PubChem CID43543284
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine
SMILESCCn1cc(NC(C)c2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C13H16N4O2/c1-3-16-9-11(8-14-16)15-10(2)12-6-4-5-7-13(12)17(18)19/h4-10,15H,3H2,1-2H3
InChIKeyYAPWRQUWMMLPIG-UHFFFAOYSA-N
XLogP2.98
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine (CID 43543284) is 1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine is CCn1cc(NC(C)c2ccccc2[N+](=O)[O-])cn1.
What is the InChIKey of 1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine?
The InChIKey is YAPWRQUWMMLPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-16-9-11(8-14-16)15-10(2)12-6-4-5-7-13(12)17(18)19/h4-10,15H,3H2,1-2H3.
What are the key properties of 1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine?
1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine has a molecular weight of 260.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 43543284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).