N-cyclohexyl-1,3-dimethyl-4-nitropyrazol-5-amine

C11H18N4O2 — CID 543253

IUPACN-cyclohexyl-1,3-dimethyl-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(NC2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O2/c1-8-10(15(16)17)11(14(2)13-8)12-9-6-4-3-5-7-9/h9,12H,3-7H2,1-2H3
InChIKeyHHSDENXVCVLABS-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.38
Rot. Bonds3

About N-cyclohexyl-1,3-dimethyl-4-nitropyrazol-5-amine

N-cyclohexyl-1,3-dimethyl-4-nitropyrazol-5-amine (PubChem CID 543253) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-cyclohexyl-1,3-dimethyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-1,3-dimethyl-4-nitropyrazol-5-amine
PubChem CID543253
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-cyclohexyl-1,3-dimethyl-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(NC2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O2/c1-8-10(15(16)17)11(14(2)13-8)12-9-6-4-3-5-7-9/h9,12H,3-7H2,1-2H3
InChIKeyHHSDENXVCVLABS-UHFFFAOYSA-N
XLogP2.38
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.38
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 N-cyclohexyl-1,3-dimethyl-4-nitropyrazol-5-amine?
The IUPAC name of N-cyclohexyl-1,3-dimethyl-4-nitropyrazol-5-amine (CID 543253) is N-cyclohexyl-1,3-dimethyl-4-nitropyrazol-5-amine.
What is the SMILES notation for N-cyclohexyl-1,3-dimethyl-4-nitropyrazol-5-amine?
The canonical SMILES for N-cyclohexyl-1,3-dimethyl-4-nitropyrazol-5-amine is Cc1nn(C)c(NC2CCCCC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-1,3-dimethyl-4-nitropyrazol-5-amine?
The InChIKey is HHSDENXVCVLABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-10(15(16)17)11(14(2)13-8)12-9-6-4-3-5-7-9/h9,12H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-1,3-dimethyl-4-nitropyrazol-5-amine?
N-cyclohexyl-1,3-dimethyl-4-nitropyrazol-5-amine has a molecular weight of 238.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,3-dimethyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 543253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).