4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazol-5-amine

C8H9N7O4 — CID 4767316

IUPAC4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazol-5-amine
SMILESO=[N+]([O-])c1cnn(CCNc2[nH]ncc2[N+](=O)[O-])c1
InChIInChI=1S/C8H9N7O4/c16-14(17)6-3-11-13(5-6)2-1-9-8-7(15(18)19)4-10-12-8/h3-5H,1-2H2,(H2,9,10,12)
InChIKeyKXVPFDYNBLEYQX-UHFFFAOYSA-N
MW267.20 g/mol
LogP0.53
Rot. Bonds6

About 4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazol-5-amine

4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazol-5-amine (PubChem CID 4767316) has the molecular formula C8H9N7O4 and a molecular weight of 267.20 g/mol. Its IUPAC name is 4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazol-5-amine
PubChem CID4767316
Molecular FormulaC8H9N7O4
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazol-5-amine
SMILESO=[N+]([O-])c1cnn(CCNc2[nH]ncc2[N+](=O)[O-])c1
InChIInChI=1S/C8H9N7O4/c16-14(17)6-3-11-13(5-6)2-1-9-8-7(15(18)19)4-10-12-8/h3-5H,1-2H2,(H2,9,10,12)
InChIKeyKXVPFDYNBLEYQX-UHFFFAOYSA-N
XLogP0.53
TPSA144.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazol-5-amine (CID 4767316) is 4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazol-5-amine is O=[N+]([O-])c1cnn(CCNc2[nH]ncc2[N+](=O)[O-])c1.
What is the InChIKey of 4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazol-5-amine?
The InChIKey is KXVPFDYNBLEYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O4/c16-14(17)6-3-11-13(5-6)2-1-9-8-7(15(18)19)4-10-12-8/h3-5H,1-2H2,(H2,9,10,12).
What are the key properties of 4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazol-5-amine?
4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazol-5-amine has a molecular weight of 267.20 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 4767316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).