4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine

C10H16N4O3 — CID 103080533

IUPAC4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine
SMILESCn1cc([N+](=O)[O-])c(OC2CCC(N)CC2)n1
InChIInChI=1S/C10H16N4O3/c1-13-6-9(14(15)16)10(12-13)17-8-4-2-7(11)3-5-8/h6-8H,2-5,11H2,1H3
InChIKeyFCJRAULUIJPLAA-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.98
Rot. Bonds3

About 4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine

4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine (PubChem CID 103080533) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine.

Molecular Properties

Compound Name4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine
PubChem CID103080533
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine
SMILESCn1cc([N+](=O)[O-])c(OC2CCC(N)CC2)n1
InChIInChI=1S/C10H16N4O3/c1-13-6-9(14(15)16)10(12-13)17-8-4-2-7(11)3-5-8/h6-8H,2-5,11H2,1H3
InChIKeyFCJRAULUIJPLAA-UHFFFAOYSA-N
XLogP0.98
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.98
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 4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-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 4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine?
The IUPAC name of 4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine (CID 103080533) is 4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine.
What is the SMILES notation for 4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine?
The canonical SMILES for 4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine is Cn1cc([N+](=O)[O-])c(OC2CCC(N)CC2)n1.
What is the InChIKey of 4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine?
The InChIKey is FCJRAULUIJPLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-13-6-9(14(15)16)10(12-13)17-8-4-2-7(11)3-5-8/h6-8H,2-5,11H2,1H3.
What are the key properties of 4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine?
4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine has a molecular weight of 240.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-4-nitropyrazol-3-yl)oxycyclohexan-1-amine is sourced from PubChem (CID 103080533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).