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

C11H18N4O2 — CID 54955181

IUPACN-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
SMILESCCC1CCC(Nc2cn[nH]c2[N+](=O)[O-])CC1
InChIInChI=1S/C11H18N4O2/c1-2-8-3-5-9(6-4-8)13-10-7-12-14-11(10)15(16)17/h7-9,13H,2-6H2,1H3,(H,12,14)
InChIKeyWNPJTNFBYKVBFG-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.70
Rot. Bonds4

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

N-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine (PubChem CID 54955181) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
PubChem CID54955181
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
SMILESCCC1CCC(Nc2cn[nH]c2[N+](=O)[O-])CC1
InChIInChI=1S/C11H18N4O2/c1-2-8-3-5-9(6-4-8)13-10-7-12-14-11(10)15(16)17/h7-9,13H,2-6H2,1H3,(H,12,14)
InChIKeyWNPJTNFBYKVBFG-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

N-cyclohexyl-5-nitro-1H-pyrazol-4-amine
CID 19827724
N-(2-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
CID 54955889
N-(3-methylcyclohexyl)-5-nitro-1H-pyrazol-4-amine
CID 82236204
N-cyclopropyl-N'-(5-nitro-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 115001791
N-(2-cyclohexylethyl)-5-nitro-1H-pyrazol-4-amine
CID 114990616
N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719897
N-butan-2-yl-5-nitro-1H-pyrazol-4-amine
CID 82238073
1-N-ethyl-3-N-(4-ethylcyclohexyl)-2-nitrobenzene-1,3-diamine
CID 80780765
N-[(4S)-4-methoxypyrrolidin-3-yl]-5-nitro-1H-pyrazol-4-amine
CID 114988367
2-bromo-N-(4-ethylcyclohexyl)-4-methyl-5-nitroaniline
CID 104815054
4-[(4-ethylcyclohexyl)amino]-3-nitrobenzoic acid
CID 63537170
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CID 65083545

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine?
The IUPAC name of N-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine (CID 54955181) is N-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine?
The canonical SMILES for N-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine is CCC1CCC(Nc2cn[nH]c2[N+](=O)[O-])CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine?
The InChIKey is WNPJTNFBYKVBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-8-3-5-9(6-4-8)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-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine?
N-(4-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-(4-ethylcyclohexyl)-5-nitro-1H-pyrazol-4-amine is sourced from PubChem (CID 54955181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).