1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine

C13H22N4O2 — CID 66017867

IUPAC1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine
SMILESCCCc1nn(C)c(NC2(C)CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H22N4O2/c1-4-7-10-11(17(18)19)12(16(3)15-10)14-13(2)8-5-6-9-13/h14H,4-9H2,1-3H3
InChIKeyXAGAUHOLQHZENE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.03
Rot. Bonds5

About 1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine

1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine (PubChem CID 66017867) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine
PubChem CID66017867
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine
SMILESCCCc1nn(C)c(NC2(C)CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C13H22N4O2/c1-4-7-10-11(17(18)19)12(16(3)15-10)14-13(2)8-5-6-9-13/h14H,4-9H2,1-3H3
InChIKeyXAGAUHOLQHZENE-UHFFFAOYSA-N
XLogP3.03
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.03
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-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]cyclopentane-1-carboxylic acid
CID 66016287
N-(2,2-dimethylcyclopropyl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66018457
[4-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]oxan-4-yl]methanol
CID 106299616
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 105419128
N-cyclobutyl-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017295
N'-(1-methyl-4-nitro-3-propylpyrazol-5-yl)ethane-1,2-diamine
CID 66016680
2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]ethanol
CID 66017659
N-(1,1-dioxothian-3-yl)-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66017880
1-methyl-4-nitro-3-propyl-N-pyrrol-1-ylpyrazol-5-amine
CID 79106780
1-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine
CID 66019067
3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine
CID 113485574
N-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide
CID 66018839

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine?
The IUPAC name of 1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine (CID 66017867) is 1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine?
The canonical SMILES for 1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine is CCCc1nn(C)c(NC2(C)CCCC2)c1[N+](=O)[O-].
What is the InChIKey of 1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine?
The InChIKey is XAGAUHOLQHZENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-7-10-11(17(18)19)12(16(3)15-10)14-13(2)8-5-6-9-13/h14H,4-9H2,1-3H3.
What are the key properties of 1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine?
1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine has a molecular weight of 266.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylcyclopentyl)-4-nitro-3-propylpyrazol-5-amine is sourced from PubChem (CID 66017867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).