1-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine

C7H11N5O2 — CID 82235624

IUPAC1-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine
SMILESNC1CCN(c2cn[nH]c2[N+](=O)[O-])C1
InChIInChI=1S/C7H11N5O2/c8-5-1-2-11(4-5)6-3-9-10-7(6)12(13)14/h3,5H,1-2,4,8H2,(H,9,10)
InChIKeyCUAIJOMVGVNWAM-UHFFFAOYSA-N
MW197.20 g/mol
LogP-0.14
Rot. Bonds2

About 1-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine

1-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine (PubChem CID 82235624) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine
PubChem CID82235624
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name1-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine
SMILESNC1CCN(c2cn[nH]c2[N+](=O)[O-])C1
InChIInChI=1S/C7H11N5O2/c8-5-1-2-11(4-5)6-3-9-10-7(6)12(13)14/h3,5H,1-2,4,8H2,(H,9,10)
InChIKeyCUAIJOMVGVNWAM-UHFFFAOYSA-N
XLogP-0.14
TPSA101.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
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-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine (CID 82235624) is 1-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine is NC1CCN(c2cn[nH]c2[N+](=O)[O-])C1.
What is the InChIKey of 1-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine?
The InChIKey is CUAIJOMVGVNWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c8-5-1-2-11(4-5)6-3-9-10-7(6)12(13)14/h3,5H,1-2,4,8H2,(H,9,10).
What are the key properties of 1-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine?
1-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine has a molecular weight of 197.20 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitro-1H-pyrazol-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 82235624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).