1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine

C13H22N4O2 — CID 66010827

IUPAC1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NC1CCC(C)CC1
InChIInChI=1S/C13H22N4O2/c1-4-16-13(12(17(18)19)10(3)15-16)14-11-7-5-9(2)6-8-11/h9,11,14H,4-8H2,1-3H3
InChIKeyNHQWYLZCLGBMIG-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.11
Rot. Bonds4

About 1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine

1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine (PubChem CID 66010827) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine
PubChem CID66010827
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine
SMILESCCn1nc(C)c([N+](=O)[O-])c1NC1CCC(C)CC1
InChIInChI=1S/C13H22N4O2/c1-4-16-13(12(17(18)19)10(3)15-16)14-11-7-5-9(2)6-8-11/h9,11,14H,4-8H2,1-3H3
InChIKeyNHQWYLZCLGBMIG-UHFFFAOYSA-N
XLogP3.11
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
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

1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine
CID 66011038
N-cyclohexyl-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 66012574
4-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 66013550
3-[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]cyclobutan-1-ol
CID 66011060
N-(1,1-dioxothian-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66011549
1-N-(1-ethyl-3-methyl-4-nitropyrazol-5-yl)cyclopentane-1,2-diamine
CID 66012434
3-ethyl-1-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine
CID 66014368
N-(1,1-dioxothiolan-3-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013301
5-[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]piperidin-2-one
CID 66027997
N-(2,2-dimethyloxan-4-yl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 83037075
1-ethyl-3-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-5-amine
CID 82944468
2-[[(1-ethyl-3-methyl-4-nitropyrazol-5-yl)amino]methyl]cyclohexan-1-ol
CID 66013598

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine (CID 66010827) is 1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine is CCn1nc(C)c([N+](=O)[O-])c1NC1CCC(C)CC1.
What is the InChIKey of 1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine?
The InChIKey is NHQWYLZCLGBMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-16-13(12(17(18)19)10(3)15-16)14-11-7-5-9(2)6-8-11/h9,11,14H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine?
1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine has a molecular weight of 266.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine is sourced from PubChem (CID 66010827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).