4-nitro-1-(4-propylcycloheptyl)pyrazol-5-amine

C13H22N4O2 — CID 65091195

IUPAC4-nitro-1-(4-propylcycloheptyl)pyrazol-5-amine
SMILESCCCC1CCCC(n2ncc([N+](=O)[O-])c2N)CC1
InChIInChI=1S/C13H22N4O2/c1-2-4-10-5-3-6-11(8-7-10)16-13(14)12(9-15-16)17(18)19/h9-11H,2-8,14H2,1H3
InChIKeyRBUWLDLCXSBNQS-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.30
Rot. Bonds4

About 4-nitro-1-(4-propylcycloheptyl)pyrazol-5-amine

4-nitro-1-(4-propylcycloheptyl)pyrazol-5-amine (PubChem CID 65091195) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-nitro-1-(4-propylcycloheptyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-nitro-1-(4-propylcycloheptyl)pyrazol-5-amine
PubChem CID65091195
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-nitro-1-(4-propylcycloheptyl)pyrazol-5-amine
SMILESCCCC1CCCC(n2ncc([N+](=O)[O-])c2N)CC1
InChIInChI=1S/C13H22N4O2/c1-2-4-10-5-3-6-11(8-7-10)16-13(14)12(9-15-16)17(18)19/h9-11H,2-8,14H2,1H3
InChIKeyRBUWLDLCXSBNQS-UHFFFAOYSA-N
XLogP3.30
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.30
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 4-nitro-1-(4-propylcycloheptyl)pyrazol-5-amine?
The IUPAC name of 4-nitro-1-(4-propylcycloheptyl)pyrazol-5-amine (CID 65091195) is 4-nitro-1-(4-propylcycloheptyl)pyrazol-5-amine.
What is the SMILES notation for 4-nitro-1-(4-propylcycloheptyl)pyrazol-5-amine?
The canonical SMILES for 4-nitro-1-(4-propylcycloheptyl)pyrazol-5-amine is CCCC1CCCC(n2ncc([N+](=O)[O-])c2N)CC1.
What is the InChIKey of 4-nitro-1-(4-propylcycloheptyl)pyrazol-5-amine?
The InChIKey is RBUWLDLCXSBNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-4-10-5-3-6-11(8-7-10)16-13(14)12(9-15-16)17(18)19/h9-11H,2-8,14H2,1H3.
What are the key properties of 4-nitro-1-(4-propylcycloheptyl)pyrazol-5-amine?
4-nitro-1-(4-propylcycloheptyl)pyrazol-5-amine has a molecular weight of 266.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-(4-propylcycloheptyl)pyrazol-5-amine is sourced from PubChem (CID 65091195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).