1-cyclopropyl-3-nitropyrazole

C6H7N3O2 — CID 50999901

IUPAC1-cyclopropyl-3-nitropyrazole
SMILESO=[N+]([O-])c1ccn(C2CC2)n1
InChIInChI=1S/C6H7N3O2/c10-9(11)6-3-4-8(7-6)5-1-2-5/h3-5H,1-2H2
InChIKeyHSFQRBCNMTWGGA-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.13
Rot. Bonds2

About 1-cyclopropyl-3-nitropyrazole

1-cyclopropyl-3-nitropyrazole (PubChem CID 50999901) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 1-cyclopropyl-3-nitropyrazole.

Molecular Properties

Compound Name1-cyclopropyl-3-nitropyrazole
PubChem CID50999901
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name1-cyclopropyl-3-nitropyrazole
SMILESO=[N+]([O-])c1ccn(C2CC2)n1
InChIInChI=1S/C6H7N3O2/c10-9(11)6-3-4-8(7-6)5-1-2-5/h3-5H,1-2H2
InChIKeyHSFQRBCNMTWGGA-UHFFFAOYSA-N
XLogP1.13
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.13
H-Bond Donors ≤ 50
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 1-cyclopropyl-3-nitropyrazole?
The IUPAC name of 1-cyclopropyl-3-nitropyrazole (CID 50999901) is 1-cyclopropyl-3-nitropyrazole.
What is the SMILES notation for 1-cyclopropyl-3-nitropyrazole?
The canonical SMILES for 1-cyclopropyl-3-nitropyrazole is O=[N+]([O-])c1ccn(C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-3-nitropyrazole?
The InChIKey is HSFQRBCNMTWGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c10-9(11)6-3-4-8(7-6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 1-cyclopropyl-3-nitropyrazole?
1-cyclopropyl-3-nitropyrazole has a molecular weight of 153.14 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-nitropyrazole is sourced from PubChem (CID 50999901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).