1-butyl-3-nitropyrazol-5-amine

C7H12N4O2 — CID 154881784

IUPAC1-butyl-3-nitropyrazol-5-amine
SMILESCCCCn1nc([N+](=O)[O-])cc1N
InChIInChI=1S/C7H12N4O2/c1-2-3-4-10-6(8)5-7(9-10)11(12)13/h5H,2-4,8H2,1H3
InChIKeyVMWPWCJSJQTCPE-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.17
Rot. Bonds4

About 1-butyl-3-nitropyrazol-5-amine

1-butyl-3-nitropyrazol-5-amine (PubChem CID 154881784) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-butyl-3-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-butyl-3-nitropyrazol-5-amine
PubChem CID154881784
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name1-butyl-3-nitropyrazol-5-amine
SMILESCCCCn1nc([N+](=O)[O-])cc1N
InChIInChI=1S/C7H12N4O2/c1-2-3-4-10-6(8)5-7(9-10)11(12)13/h5H,2-4,8H2,1H3
InChIKeyVMWPWCJSJQTCPE-UHFFFAOYSA-N
XLogP1.17
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.17
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-butyl-3-nitropyrazol-5-amine?
The IUPAC name of 1-butyl-3-nitropyrazol-5-amine (CID 154881784) is 1-butyl-3-nitropyrazol-5-amine.
What is the SMILES notation for 1-butyl-3-nitropyrazol-5-amine?
The canonical SMILES for 1-butyl-3-nitropyrazol-5-amine is CCCCn1nc([N+](=O)[O-])cc1N.
What is the InChIKey of 1-butyl-3-nitropyrazol-5-amine?
The InChIKey is VMWPWCJSJQTCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-2-3-4-10-6(8)5-7(9-10)11(12)13/h5H,2-4,8H2,1H3.
What are the key properties of 1-butyl-3-nitropyrazol-5-amine?
1-butyl-3-nitropyrazol-5-amine has a molecular weight of 184.20 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-nitropyrazol-5-amine is sourced from PubChem (CID 154881784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).