N,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine

C10H18N4O2 — CID 133276802

IUPACN,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N4O2/c1-7(2)6-12(4)10-9(14(15)16)8(3)11-13(10)5/h7H,6H2,1-5H3
InChIKeyPXIQAOZLIJDQEN-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.73
Rot. Bonds4

About N,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine

N,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine (PubChem CID 133276802) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine
PubChem CID133276802
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(N(C)CC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H18N4O2/c1-7(2)6-12(4)10-9(14(15)16)8(3)11-13(10)5/h7H,6H2,1-5H3
InChIKeyPXIQAOZLIJDQEN-UHFFFAOYSA-N
XLogP1.73
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
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'-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-methylethane-1,2-diamine
CID 62686664
2-methyl-3-[methyl-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)amino]propanenitrile
CID 66027898
2-methyl-3-[methyl-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)amino]propanoic acid
CID 66028282
2-[(1,3-dimethyl-4-nitropyrazol-5-yl)-propan-2-ylamino]acetic acid
CID 60828547
N,1,3-trimethyl-4-nitro-N-(3-phenoxypropyl)pyrazol-5-amine
CID 60503568
N-[(4-chloro-2-pyridinyl)methyl]-N,1,3-trimethyl-4-nitropyrazol-5-amine
CID 154784255
2-[methyl-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)amino]acetic acid
CID 66029632
1-N-(1,3-dimethyl-4-nitropyrazol-5-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913295
1-ethyl-N,N,3-trimethyl-4-nitropyrazol-5-amine
CID 130557665
methyl 2-[(1,3-dimethyl-4-nitropyrazol-5-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957493
2-[methyl-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)amino]ethanol
CID 66019201
2-[butyl-(1,3-dimethyl-4-nitropyrazol-5-yl)amino]ethanol
CID 61448439

Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine?
The IUPAC name of N,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine (CID 133276802) is N,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine.
What is the SMILES notation for N,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine?
The canonical SMILES for N,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine is Cc1nn(C)c(N(C)CC(C)C)c1[N+](=O)[O-].
What is the InChIKey of N,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine?
The InChIKey is PXIQAOZLIJDQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(2)6-12(4)10-9(14(15)16)8(3)11-13(10)5/h7H,6H2,1-5H3.
What are the key properties of N,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine?
N,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine has a molecular weight of 226.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-N-(2-methylpropyl)-4-nitropyrazol-5-amine is sourced from PubChem (CID 133276802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).