N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine

C11H18N4O2 — CID 114990616

IUPACN-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine
SMILESO=[N+]([O-])c1[nH]ncc1NCCC1CCCCC1
InChIInChI=1S/C11H18N4O2/c16-15(17)11-10(8-13-14-11)12-7-6-9-4-2-1-3-5-9/h8-9,12H,1-7H2,(H,13,14)
InChIKeyQTTPKOVAJNQXCE-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.70
Rot. Bonds5

About N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine

N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine (PubChem CID 114990616) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine
PubChem CID114990616
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine
SMILESO=[N+]([O-])c1[nH]ncc1NCCC1CCCCC1
InChIInChI=1S/C11H18N4O2/c16-15(17)11-10(8-13-14-11)12-7-6-9-4-2-1-3-5-9/h8-9,12H,1-7H2,(H,13,14)
InChIKeyQTTPKOVAJNQXCE-UHFFFAOYSA-N
XLogP2.70
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.70
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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Related Compounds

5-nitro-N-[2-(oxolan-2-yl)ethyl]-1H-pyrazol-4-amine
CID 114988277
N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 115001791
5-nitro-N-(2-piperidin-1-ylethyl)-1H-pyrazol-4-amine
CID 54967766
N-cyclohexyl-5-nitro-1H-pyrazol-4-amine
CID 19827724
5-nitro-N-(oxolan-2-ylmethyl)-1H-pyrazol-4-amine
CID 82238079
N-(2-cyclopentylethyl)-2-nitropyridin-3-amine
CID 112685150
N',N'-dimethyl-N-(5-nitro-1H-pyrazol-4-yl)propane-1,3-diamine
CID 114988005
N-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
CID 54955889
N-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
CID 54955181
N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline
CID 104757559
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
ethyl 3-[(5-nitro-1H-pyrazol-4-yl)amino]propanoate
CID 114988498

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine?
The IUPAC name of N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine (CID 114990616) is N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine is O=[N+]([O-])c1[nH]ncc1NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine?
The InChIKey is QTTPKOVAJNQXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c16-15(17)11-10(8-13-14-11)12-7-6-9-4-2-1-3-5-9/h8-9,12H,1-7H2,(H,13,14).
What are the key properties of N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine?
N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine has a molecular weight of 238.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine is sourced from PubChem (CID 114990616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).