N-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine

C10H16N4O2 — CID 103079936

IUPACN-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine
SMILESCC(CC1CC1)Nc1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O2/c1-7(5-8-3-4-8)11-10-9(14(15)16)6-13(2)12-10/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyCTWLRAWOOCBWFG-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.93
Rot. Bonds5

About N-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine

N-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine (PubChem CID 103079936) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine
PubChem CID103079936
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine
SMILESCC(CC1CC1)Nc1nn(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O2/c1-7(5-8-3-4-8)11-10-9(14(15)16)6-13(2)12-10/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyCTWLRAWOOCBWFG-UHFFFAOYSA-N
XLogP1.93
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.93
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'}

Analyze N-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-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-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine (CID 103079936) is N-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine is CC(CC1CC1)Nc1nn(C)cc1[N+](=O)[O-].
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine?
The InChIKey is CTWLRAWOOCBWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7(5-8-3-4-8)11-10-9(14(15)16)6-13(2)12-10/h6-8H,3-5H2,1-2H3,(H,11,12).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine?
N-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine has a molecular weight of 224.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine is sourced from PubChem (CID 103079936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).