2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole

C14H25N5O2 — CID 163760183

IUPAC2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole
SMILESCC(C)C.Cc1ccn(C(C)C)n1.O=[N+]([O-])c1ccn[nH]1
InChIInChI=1S/C7H12N2.C4H10.C3H3N3O2/c1-6(2)9-5-4-7(3)8-9;1-4(2)3;7-6(8)3-1-2-4-5-3/h4-6H,1-3H3;4H,1-3H3;1-2H,(H,4,5)
InChIKeyLXNHHFNNCSBTLK-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.75
Rot. Bonds2

About 2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole

2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole (PubChem CID 163760183) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole.

Molecular Properties

Compound Name2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole
PubChem CID163760183
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole
SMILESCC(C)C.Cc1ccn(C(C)C)n1.O=[N+]([O-])c1ccn[nH]1
InChIInChI=1S/C7H12N2.C4H10.C3H3N3O2/c1-6(2)9-5-4-7(3)8-9;1-4(2)3;7-6(8)3-1-2-4-5-3/h4-6H,1-3H3;4H,1-3H3;1-2H,(H,4,5)
InChIKeyLXNHHFNNCSBTLK-UHFFFAOYSA-N
XLogP3.75
TPSA89.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole?
The IUPAC name of 2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole (CID 163760183) is 2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole.
What is the SMILES notation for 2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole?
The canonical SMILES for 2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole is CC(C)C.Cc1ccn(C(C)C)n1.O=[N+]([O-])c1ccn[nH]1.
What is the InChIKey of 2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole?
The InChIKey is LXNHHFNNCSBTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C4H10.C3H3N3O2/c1-6(2)9-5-4-7(3)8-9;1-4(2)3;7-6(8)3-1-2-4-5-3/h4-6H,1-3H3;4H,1-3H3;1-2H,(H,4,5).
What are the key properties of 2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole?
2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole has a molecular weight of 295.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole is sourced from PubChem (CID 163760183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).