N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine

C11H18N4O2 — CID 66017295

IUPACN-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine
SMILESCCCc1nn(C)c(NC2CCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O2/c1-3-5-9-10(15(16)17)11(14(2)13-9)12-8-6-4-7-8/h8,12H,3-7H2,1-2H3
InChIKeyOYYIBYRPBYJTON-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.25
Rot. Bonds5

About N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine

N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine (PubChem CID 66017295) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine.

Molecular Properties

Compound NameN-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine
PubChem CID66017295
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine
SMILESCCCc1nn(C)c(NC2CCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O2/c1-3-5-9-10(15(16)17)11(14(2)13-9)12-8-6-4-7-8/h8,12H,3-7H2,1-2H3
InChIKeyOYYIBYRPBYJTON-UHFFFAOYSA-N
XLogP2.25
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-cyclopentyl-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66015162
N-(1,1-dioxothian-3-yl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017880
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
1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)cycloheptane-1,2-diamine
CID 66017704
N-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66018457
N-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-3-amine
CID 66016422
1,3-dimethyl-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)piperidin-4-amine
CID 114504856
N-(azetidin-3-yl)-3-ethyl-1-methyl-4-nitropyrazol-5-amine
CID 66188443
N-(2-cyclopropylethyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66018276
1-methyl-4-nitro-N-(piperidin-2-ylmethyl)-3-propylpyrazol-5-amine
CID 66017120
1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine
CID 66017867

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine?
The IUPAC name of N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine (CID 66017295) is N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine.
What is the SMILES notation for N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine?
The canonical SMILES for N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine is CCCc1nn(C)c(NC2CCC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine?
The InChIKey is OYYIBYRPBYJTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-5-9-10(15(16)17)11(14(2)13-9)12-8-6-4-7-8/h8,12H,3-7H2,1-2H3.
What are the key properties of N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine?
N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine has a molecular weight of 238.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine is sourced from PubChem (CID 66017295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).