1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine

C12H21N5O3 — CID 103080272

IUPAC1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine
SMILESCn1cc([N+](=O)[O-])c(NCCCOC2CCNCC2)n1
InChIInChI=1S/C12H21N5O3/c1-16-9-11(17(18)19)12(15-16)14-5-2-8-20-10-3-6-13-7-4-10/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyMGFJWNUXSGZCIG-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.90
Rot. Bonds7

About 1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine

1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine (PubChem CID 103080272) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine
PubChem CID103080272
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine
SMILESCn1cc([N+](=O)[O-])c(NCCCOC2CCNCC2)n1
InChIInChI=1S/C12H21N5O3/c1-16-9-11(17(18)19)12(15-16)14-5-2-8-20-10-3-6-13-7-4-10/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyMGFJWNUXSGZCIG-UHFFFAOYSA-N
XLogP0.90
TPSA94.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine (CID 103080272) is 1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine is Cn1cc([N+](=O)[O-])c(NCCCOC2CCNCC2)n1.
What is the InChIKey of 1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine?
The InChIKey is MGFJWNUXSGZCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-16-9-11(17(18)19)12(15-16)14-5-2-8-20-10-3-6-13-7-4-10/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine?
1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine has a molecular weight of 283.33 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine is sourced from PubChem (CID 103080272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).