N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine

C10H18N4O3 — CID 103079967

IUPACN-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine
SMILESCOCC(Nc1nn(C)cc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C10H18N4O3/c1-7(2)8(6-17-4)11-10-9(14(15)16)5-13(3)12-10/h5,7-8H,6H2,1-4H3,(H,11,12)
InChIKeyIFQAEASKYYUWSG-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.41
Rot. Bonds6

About N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine

N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine (PubChem CID 103079967) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine
PubChem CID103079967
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine
SMILESCOCC(Nc1nn(C)cc1[N+](=O)[O-])C(C)C
InChIInChI=1S/C10H18N4O3/c1-7(2)8(6-17-4)11-10-9(14(15)16)5-13(3)12-10/h5,7-8H,6H2,1-4H3,(H,11,12)
InChIKeyIFQAEASKYYUWSG-UHFFFAOYSA-N
XLogP1.41
TPSA82.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-methyl-N-(3-methylbutan-2-yl)-4-nitropyrazol-3-amine
CID 103079678
N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-5-nitroimidazol-4-amine
CID 65048443
1-methyl-4-nitro-N-pent-4-en-2-ylpyrazol-3-amine
CID 103080103
N-(2,2-dimethoxyethyl)-1-methyl-4-nitropyrazol-3-amine
CID 107390111
N-(1-cyclopropylpropan-2-yl)-1-methyl-4-nitropyrazol-3-amine
CID 103079936
N-(1-methoxy-3-methylbutan-2-yl)-1,3-dimethyl-4-nitropyrazol-5-amine
CID 65047948
1-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyrazol-3-amine
CID 103079768
N-(1-methoxy-3-methylbutan-2-yl)-2,3-dimethyl-5-nitroimidazol-4-amine
CID 113243945
1-methyl-N-(3-methylbutyl)-4-nitropyrazol-3-amine
CID 103079653
4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid
CID 103079414
N-(1-methoxy-3-methylbutan-2-yl)-5-nitropyrimidin-2-amine
CID 65048694
4-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-nitroaniline
CID 65048341

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine (CID 103079967) is N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine is COCC(Nc1nn(C)cc1[N+](=O)[O-])C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine?
The InChIKey is IFQAEASKYYUWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-7(2)8(6-17-4)11-10-9(14(15)16)5-13(3)12-10/h5,7-8H,6H2,1-4H3,(H,11,12).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine?
N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine has a molecular weight of 242.28 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine is sourced from PubChem (CID 103079967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).