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

C14H24N4O2 — CID 66028385

IUPAC3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NCC1(C)CCCC1
InChIInChI=1S/C14H24N4O2/c1-4-9-17-13(12(18(19)20)11(2)16-17)15-10-14(3)7-5-6-8-14/h15H,4-10H2,1-3H3
InChIKeyTZBLAOAIEQQIAJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.50
Rot. Bonds6

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

3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine (PubChem CID 66028385) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine
PubChem CID66028385
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NCC1(C)CCCC1
InChIInChI=1S/C14H24N4O2/c1-4-9-17-13(12(18(19)20)11(2)16-17)15-10-14(3)7-5-6-8-14/h15H,4-10H2,1-3H3
InChIKeyTZBLAOAIEQQIAJ-UHFFFAOYSA-N
XLogP3.50
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.50
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

1,3-dimethyl-N-[(1-methylcyclopropyl)methyl]-4-nitropyrazol-5-amine
CID 103724978
3-methyl-N-(1-methylcyclopropyl)-4-nitro-1-propylpyrazol-5-amine
CID 113485574
N-butyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013299
3-[[(3-methyl-4-nitro-1-propylpyrazol-5-yl)amino]methyl]oxolan-3-ol
CID 106102031
3-methyl-4-nitro-1-propyl-N-(2-pyrrolidin-1-ylethyl)pyrazol-5-amine
CID 66027801
3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine
CID 66013105
N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine
CID 66028978
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-4-nitro-1-propylpyrazol-5-amine
CID 102914171
N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66029159
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethyl-3-methyl-4-nitropyrazol-5-amine
CID 105418962
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 107389340
1-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-3-propan-2-ylpyrazol-5-amine
CID 66017426

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine?
The IUPAC name of 3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine (CID 66028385) is 3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine?
The canonical SMILES for 3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine is CCCn1nc(C)c([N+](=O)[O-])c1NCC1(C)CCCC1.
What is the InChIKey of 3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine?
The InChIKey is TZBLAOAIEQQIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-9-17-13(12(18(19)20)11(2)16-17)15-10-14(3)7-5-6-8-14/h15H,4-10H2,1-3H3.
What are the key properties of 3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine?
3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine has a molecular weight of 280.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylcyclopentyl)methyl]-4-nitro-1-propylpyrazol-5-amine is sourced from PubChem (CID 66028385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).