N-cyclohexyl-5-methyl-4-nitro-1H-pyrazol-3-amine

C10H16N4O2 — CID 3122364

IUPACN-cyclohexyl-5-methyl-4-nitro-1H-pyrazol-3-amine
SMILESCc1[nH]nc(NC2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O2/c1-7-9(14(15)16)10(13-12-7)11-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H2,11,12,13)
InChIKeyNUFOTDFIBHQZDO-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.37
Rot. Bonds3

About N-cyclohexyl-5-methyl-4-nitro-1H-pyrazol-3-amine

N-cyclohexyl-5-methyl-4-nitro-1H-pyrazol-3-amine (PubChem CID 3122364) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-cyclohexyl-5-methyl-4-nitro-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-methyl-4-nitro-1H-pyrazol-3-amine
PubChem CID3122364
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-cyclohexyl-5-methyl-4-nitro-1H-pyrazol-3-amine
SMILESCc1[nH]nc(NC2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O2/c1-7-9(14(15)16)10(13-12-7)11-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H2,11,12,13)
InChIKeyNUFOTDFIBHQZDO-UHFFFAOYSA-N
XLogP2.37
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-5-methyl-4-nitro-1H-pyrazol-3-amine?
The IUPAC name of N-cyclohexyl-5-methyl-4-nitro-1H-pyrazol-3-amine (CID 3122364) is N-cyclohexyl-5-methyl-4-nitro-1H-pyrazol-3-amine.
What is the SMILES notation for N-cyclohexyl-5-methyl-4-nitro-1H-pyrazol-3-amine?
The canonical SMILES for N-cyclohexyl-5-methyl-4-nitro-1H-pyrazol-3-amine is Cc1[nH]nc(NC2CCCCC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-5-methyl-4-nitro-1H-pyrazol-3-amine?
The InChIKey is NUFOTDFIBHQZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-9(14(15)16)10(13-12-7)11-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H2,11,12,13).
What are the key properties of N-cyclohexyl-5-methyl-4-nitro-1H-pyrazol-3-amine?
N-cyclohexyl-5-methyl-4-nitro-1H-pyrazol-3-amine has a molecular weight of 224.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methyl-4-nitro-1H-pyrazol-3-amine is sourced from PubChem (CID 3122364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).