N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine

C11H18N4O2 — CID 66015162

IUPACN-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(NC2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O2/c1-3-9-10(15(16)17)11(14(2)13-9)12-8-6-4-5-7-8/h8,12H,3-7H2,1-2H3
InChIKeyNKFBOWJVZKYQOI-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.25
Rot. Bonds4

About N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine

N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine (PubChem CID 66015162) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
PubChem CID66015162
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
SMILESCCc1nn(C)c(NC2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O2/c1-3-9-10(15(16)17)11(14(2)13-9)12-8-6-4-5-7-8/h8,12H,3-7H2,1-2H3
InChIKeyNKFBOWJVZKYQOI-UHFFFAOYSA-N
XLogP2.25
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.25
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

N-cyclopropyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66014763
3-ethyl-1-methyl-N-(4-methylcyclohexyl)-4-nitropyrazol-5-amine
CID 66014368
N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017295
N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine
CID 66016422
N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66188443
methyl 4-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]piperidine-1-carboxylate
CID 133441214
3-ethyl-1-methyl-4-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyrazol-5-amine
CID 79362830
N-(1,1-dioxothian-3-yl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017880
3-ethyl-1-methyl-4-nitro-N-(piperidin-3-ylmethyl)pyrazol-5-amine
CID 66016613
1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)cycloheptane-1,2-diamine
CID 66017704
3-ethyl-1-methyl-4-nitro-N-(2-pyrrolidin-2-ylethyl)pyrazol-5-amine
CID 114794452
N-cyclohexyl-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 66012574

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine?
The IUPAC name of N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine (CID 66015162) is N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine.
What is the SMILES notation for N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine?
The canonical SMILES for N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine is CCc1nn(C)c(NC2CCCC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine?
The InChIKey is NKFBOWJVZKYQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-9-10(15(16)17)11(14(2)13-9)12-8-6-4-5-7-8/h8,12H,3-7H2,1-2H3.
What are the key properties of N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine?
N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine has a molecular weight of 238.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 66015162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).