N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylpropanehydrazide

C10H17N5O3 — CID 3460678

IUPACN'-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylpropanehydrazide
SMILESCc1nn(C)c(NNC(=O)C(C)(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H17N5O3/c1-6-7(15(17)18)8(14(5)13-6)11-12-9(16)10(2,3)4/h11H,1-5H3,(H,12,16)
InChIKeyLXATXADAGMYXIT-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.13
Rot. Bonds3

About N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylpropanehydrazide

N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylpropanehydrazide (PubChem CID 3460678) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound NameN'-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylpropanehydrazide
PubChem CID3460678
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC NameN'-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylpropanehydrazide
SMILESCc1nn(C)c(NNC(=O)C(C)(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H17N5O3/c1-6-7(15(17)18)8(14(5)13-6)11-12-9(16)10(2,3)4/h11H,1-5H3,(H,12,16)
InChIKeyLXATXADAGMYXIT-UHFFFAOYSA-N
XLogP1.13
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylpropanehydrazide?
The IUPAC name of N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylpropanehydrazide (CID 3460678) is N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylpropanehydrazide?
The canonical SMILES for N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylpropanehydrazide is Cc1nn(C)c(NNC(=O)C(C)(C)C)c1[N+](=O)[O-].
What is the InChIKey of N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylpropanehydrazide?
The InChIKey is LXATXADAGMYXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-6-7(15(17)18)8(14(5)13-6)11-12-9(16)10(2,3)4/h11H,1-5H3,(H,12,16).
What are the key properties of N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylpropanehydrazide?
N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylpropanehydrazide has a molecular weight of 255.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 3460678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).