2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide

C9H15N5O3 — CID 114253480

IUPAC2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide
SMILESCc1cc([N+](=O)[O-])nn1C(C)C(C)C(=O)NN
InChIInChI=1S/C9H15N5O3/c1-5-4-8(14(16)17)12-13(5)7(3)6(2)9(15)11-10/h4,6-7H,10H2,1-3H3,(H,11,15)
InChIKeyBXVBFPPMVXKGON-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.29
Rot. Bonds4

About 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide

2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide (PubChem CID 114253480) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide.

Molecular Properties

Compound Name2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide
PubChem CID114253480
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide
SMILESCc1cc([N+](=O)[O-])nn1C(C)C(C)C(=O)NN
InChIInChI=1S/C9H15N5O3/c1-5-4-8(14(16)17)12-13(5)7(3)6(2)9(15)11-10/h4,6-7H,10H2,1-3H3,(H,11,15)
InChIKeyBXVBFPPMVXKGON-UHFFFAOYSA-N
XLogP0.29
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide
CID 17024630
(2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide
CID 7026070
N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538960
N-(2-hydroxyethyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538763
2-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283262
2-(5-methyl-3-nitropyrazol-1-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 19538908
N-(2,6-dimethylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538729
2-(5-methyl-3-nitropyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 19538689
4-[2-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]benzoic acid
CID 19585185
N-[(1-ethylpyrazol-4-yl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538770
N-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553640
2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 19538791

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide?
The IUPAC name of 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide (CID 114253480) is 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide.
What is the SMILES notation for 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide?
The canonical SMILES for 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide is Cc1cc([N+](=O)[O-])nn1C(C)C(C)C(=O)NN.
What is the InChIKey of 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide?
The InChIKey is BXVBFPPMVXKGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c1-5-4-8(14(16)17)12-13(5)7(3)6(2)9(15)11-10/h4,6-7H,10H2,1-3H3,(H,11,15).
What are the key properties of 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide?
2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide has a molecular weight of 241.25 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide is sourced from PubChem (CID 114253480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).