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

C13H22N4O2 — CID 133423374

IUPACN-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(N(C)C2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H22N4O2/c1-4-11-12(17(18)19)13(16(3)14-11)15(2)10-8-6-5-7-9-10/h10H,4-9H2,1-3H3
InChIKeyGURFQSSJIDRUBX-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.66
Rot. Bonds4

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

N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine (PubChem CID 133423374) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine
PubChem CID133423374
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(N(C)C2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H22N4O2/c1-4-11-12(17(18)19)13(16(3)14-11)15(2)10-8-6-5-7-9-10/h10H,4-9H2,1-3H3
InChIKeyGURFQSSJIDRUBX-UHFFFAOYSA-N
XLogP2.66
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
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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Related Compounds

4-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-methylamino]cyclohexan-1-one
CID 79120535
4-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79118877
3-ethyl-N,N,1-trimethyl-4-nitropyrazol-5-amine
CID 130557668
3-[cyclobutyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]propan-1-ol
CID 102868690
1-cyclopropyl-N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-N-methylethane-1,2-diamine
CID 116653456
N-(azetidin-3-yl)-N,3-diethyl-1-methyl-4-nitropyrazol-5-amine
CID 66182633
N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66015162
N-cyclohexyl-N,2-dimethyl-5-nitro-1,2,4-triazol-3-amine
CID 4563451
2-[ethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]ethanol
CID 66013849
2-[carboxymethyl-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]acetic acid
CID 66015955
2-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)-methylamino]-2-methylpropanoic acid
CID 66015351
1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)azepane
CID 133423341

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine?
The IUPAC name of N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine (CID 133423374) is N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine.
What is the SMILES notation for N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine?
The canonical SMILES for N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine is CCc1nn(C)c(N(C)C2CCCCC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine?
The InChIKey is GURFQSSJIDRUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-11-12(17(18)19)13(16(3)14-11)15(2)10-8-6-5-7-9-10/h10H,4-9H2,1-3H3.
What are the key properties of N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine?
N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine has a molecular weight of 266.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-ethyl-N,1-dimethyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 133423374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).