N-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-amine

C12H21N5O2 — CID 115300788

IUPACN-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-amine
SMILESCNC1CCN(c2c([N+](=O)[O-])c(C(C)C)nn2C)C1
InChIInChI=1S/C12H21N5O2/c1-8(2)10-11(17(18)19)12(15(4)14-10)16-6-5-9(7-16)13-3/h8-9,13H,5-7H2,1-4H3
InChIKeyFVUQFRJCSFXFPH-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.25
Rot. Bonds4

About N-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-amine

N-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-amine (PubChem CID 115300788) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-amine
PubChem CID115300788
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-amine
SMILESCNC1CCN(c2c([N+](=O)[O-])c(C(C)C)nn2C)C1
InChIInChI=1S/C12H21N5O2/c1-8(2)10-11(17(18)19)12(15(4)14-10)16-6-5-9(7-16)13-3/h8-9,13H,5-7H2,1-4H3
InChIKeyFVUQFRJCSFXFPH-UHFFFAOYSA-N
XLogP1.25
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-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 N-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-amine (CID 115300788) is N-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-amine is CNC1CCN(c2c([N+](=O)[O-])c(C(C)C)nn2C)C1.
What is the InChIKey of N-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-amine?
The InChIKey is FVUQFRJCSFXFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-8(2)10-11(17(18)19)12(15(4)14-10)16-6-5-9(7-16)13-3/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-amine?
N-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-amine has a molecular weight of 267.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)pyrrolidin-3-amine is sourced from PubChem (CID 115300788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).