N,N-diethyl-5-nitro-1H-pyrazol-3-amine

C7H12N4O2 — CID 19827676

IUPACN,N-diethyl-5-nitro-1H-pyrazol-3-amine
SMILESCCN(CC)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C7H12N4O2/c1-3-10(4-2)6-5-7(9-8-6)11(12)13/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyOOIRIYUNDAFXLG-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.16
Rot. Bonds4

About N,N-diethyl-5-nitro-1H-pyrazol-3-amine

N,N-diethyl-5-nitro-1H-pyrazol-3-amine (PubChem CID 19827676) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is N,N-diethyl-5-nitro-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN,N-diethyl-5-nitro-1H-pyrazol-3-amine
PubChem CID19827676
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC NameN,N-diethyl-5-nitro-1H-pyrazol-3-amine
SMILESCCN(CC)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C7H12N4O2/c1-3-10(4-2)6-5-7(9-8-6)11(12)13/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyOOIRIYUNDAFXLG-UHFFFAOYSA-N
XLogP1.16
TPSA75.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N,N-diethyl-5-nitro-1H-pyrazol-3-amine?
The IUPAC name of N,N-diethyl-5-nitro-1H-pyrazol-3-amine (CID 19827676) is N,N-diethyl-5-nitro-1H-pyrazol-3-amine.
What is the SMILES notation for N,N-diethyl-5-nitro-1H-pyrazol-3-amine?
The canonical SMILES for N,N-diethyl-5-nitro-1H-pyrazol-3-amine is CCN(CC)c1cc([N+](=O)[O-])[nH]n1.
What is the InChIKey of N,N-diethyl-5-nitro-1H-pyrazol-3-amine?
The InChIKey is OOIRIYUNDAFXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-3-10(4-2)6-5-7(9-8-6)11(12)13/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N,N-diethyl-5-nitro-1H-pyrazol-3-amine?
N,N-diethyl-5-nitro-1H-pyrazol-3-amine has a molecular weight of 184.20 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-nitro-1H-pyrazol-3-amine is sourced from PubChem (CID 19827676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).