4-nitro-5-pyrrolidin-1-yl-1H-pyrazole

C7H10N4O2 — CID 134452939

IUPAC4-nitro-5-pyrrolidin-1-yl-1H-pyrazole
SMILESO=[N+]([O-])c1cn[nH]c1N1CCCC1
InChIInChI=1S/C7H10N4O2/c12-11(13)6-5-8-9-7(6)10-3-1-2-4-10/h5H,1-4H2,(H,8,9)
InChIKeyMRNATRCYVZJFLC-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.92
Rot. Bonds2

About 4-nitro-5-pyrrolidin-1-yl-1H-pyrazole

4-nitro-5-pyrrolidin-1-yl-1H-pyrazole (PubChem CID 134452939) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-nitro-5-pyrrolidin-1-yl-1H-pyrazole.

Molecular Properties

Compound Name4-nitro-5-pyrrolidin-1-yl-1H-pyrazole
PubChem CID134452939
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name4-nitro-5-pyrrolidin-1-yl-1H-pyrazole
SMILESO=[N+]([O-])c1cn[nH]c1N1CCCC1
InChIInChI=1S/C7H10N4O2/c12-11(13)6-5-8-9-7(6)10-3-1-2-4-10/h5H,1-4H2,(H,8,9)
InChIKeyMRNATRCYVZJFLC-UHFFFAOYSA-N
XLogP0.92
TPSA75.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.92
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 4-nitro-5-pyrrolidin-1-yl-1H-pyrazole?
The IUPAC name of 4-nitro-5-pyrrolidin-1-yl-1H-pyrazole (CID 134452939) is 4-nitro-5-pyrrolidin-1-yl-1H-pyrazole.
What is the SMILES notation for 4-nitro-5-pyrrolidin-1-yl-1H-pyrazole?
The canonical SMILES for 4-nitro-5-pyrrolidin-1-yl-1H-pyrazole is O=[N+]([O-])c1cn[nH]c1N1CCCC1.
What is the InChIKey of 4-nitro-5-pyrrolidin-1-yl-1H-pyrazole?
The InChIKey is MRNATRCYVZJFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c12-11(13)6-5-8-9-7(6)10-3-1-2-4-10/h5H,1-4H2,(H,8,9).
What are the key properties of 4-nitro-5-pyrrolidin-1-yl-1H-pyrazole?
4-nitro-5-pyrrolidin-1-yl-1H-pyrazole has a molecular weight of 182.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-5-pyrrolidin-1-yl-1H-pyrazole is sourced from PubChem (CID 134452939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).