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

C15H29N5O2 — CID 163863592

IUPACmethane;2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole
SMILESC.CC(C)C.Cc1ccn(C(C)C)n1.O=[N+]([O-])c1ccn[nH]1
InChIInChI=1S/C7H12N2.C4H10.C3H3N3O2.CH4/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);1H4
InChIKeyPERVNIOQMDSCOF-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.39
Rot. Bonds2

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

methane;2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole (PubChem CID 163863592) has the molecular formula C15H29N5O2 and a molecular weight of 311.43 g/mol. Its IUPAC name is methane;2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole.

Molecular Properties

Compound Namemethane;2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole
PubChem CID163863592
Molecular FormulaC15H29N5O2
Molecular Weight311.43 g/mol
Exact Mass311.23
IUPAC Namemethane;2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole
SMILESC.CC(C)C.Cc1ccn(C(C)C)n1.O=[N+]([O-])c1ccn[nH]1
InChIInChI=1S/C7H12N2.C4H10.C3H3N3O2.CH4/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);1H4
InChIKeyPERVNIOQMDSCOF-UHFFFAOYSA-N
XLogP4.39
TPSA89.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.39
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 methane;2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole?
The IUPAC name of methane;2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole (CID 163863592) is methane;2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole.
What is the SMILES notation for methane;2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole?
The canonical SMILES for methane;2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole is C.CC(C)C.Cc1ccn(C(C)C)n1.O=[N+]([O-])c1ccn[nH]1.
What is the InChIKey of methane;2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole?
The InChIKey is PERVNIOQMDSCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C4H10.C3H3N3O2.CH4/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);1H4.
What are the key properties of methane;2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole?
methane;2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole has a molecular weight of 311.43 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylpropane;3-methyl-1-propan-2-ylpyrazole;5-nitro-1H-pyrazole is sourced from PubChem (CID 163863592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).