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

C11H18N4O2 — CID 54955889

IUPACN-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
SMILESCCC1CCCCC1Nc1cn[nH]c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O2/c1-2-8-5-3-4-6-9(8)13-10-7-12-14-11(10)15(16)17/h7-9,13H,2-6H2,1H3,(H,12,14)
InChIKeyPRSDVCHAKBCFCK-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.70
Rot. Bonds4

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

N-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine (PubChem CID 54955889) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
PubChem CID54955889
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
SMILESCCC1CCCCC1Nc1cn[nH]c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O2/c1-2-8-5-3-4-6-9(8)13-10-7-12-14-11(10)15(16)17/h7-9,13H,2-6H2,1H3,(H,12,14)
InChIKeyPRSDVCHAKBCFCK-UHFFFAOYSA-N
XLogP2.70
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

4-N-(2-ethylcyclohexyl)-1H-pyrazole-4,5-diamine
CID 82236948
N-cyclohexyl-5-nitro-1H-pyrazol-4-amine
CID 19827724
N-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
CID 54955181
N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine
CID 113224726
N-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
CID 82236204
N-(2-ethylcyclohexyl)-2-methyl-3-nitroaniline
CID 63541805
N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine
CID 114990616
4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline
CID 55223833
5-chloro-N-(2-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 115555784
N-(2-ethylcyclopentyl)-2-methyl-5-nitroaniline
CID 113483374
6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471422
2-(difluoromethyl)-N-(2-ethylcyclohexyl)-4-nitroaniline
CID 63735458

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine?
The IUPAC name of N-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine (CID 54955889) is N-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine.
What is the SMILES notation for N-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine?
The canonical SMILES for N-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine is CCC1CCCCC1Nc1cn[nH]c1[N+](=O)[O-].
What is the InChIKey of N-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine?
The InChIKey is PRSDVCHAKBCFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-8-5-3-4-6-9(8)13-10-7-12-14-11(10)15(16)17/h7-9,13H,2-6H2,1H3,(H,12,14).
What are the key properties of N-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine?
N-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine has a molecular weight of 238.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine is sourced from PubChem (CID 54955889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).