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

C8H13N5O3 — CID 7026070

IUPAC(2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide
SMILESCC[C@@H](C(=O)NN)n1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C8H13N5O3/c1-3-6(8(14)10-9)12-5(2)4-7(11-12)13(15)16/h4,6H,3,9H2,1-2H3,(H,10,14)/t6-/m0/s1
InChIKeyGRZGIEUXNPPNPI-LURJTMIESA-N
MW227.22 g/mol
LogP0.04
Rot. Bonds4

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

(2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide (PubChem CID 7026070) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is (2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide.

Molecular Properties

Compound Name(2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide
PubChem CID7026070
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name(2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide
SMILESCC[C@@H](C(=O)NN)n1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C8H13N5O3/c1-3-6(8(14)10-9)12-5(2)4-7(11-12)13(15)16/h4,6H,3,9H2,1-2H3,(H,10,14)/t6-/m0/s1
InChIKeyGRZGIEUXNPPNPI-LURJTMIESA-N
XLogP0.04
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.04
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'}

Analyze (2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide
CID 17024630
N-[2-(diethylamino)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553643
2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide
CID 114253480
N-(3-methoxypropyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553640
N-(1-ethyl-5-methylpyrazol-4-yl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553584
N-ethyl-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538960
2-(5-methyl-3-nitropyrazol-1-yl)-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19330957
N-(2-fluoro-5-methylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553458
ethyl 1-methyl-5-[2-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]pyrazole-4-carboxylate
CID 19553613
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553474
N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553492
2-(5-methyl-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]butanamide
CID 19553660

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide?
The IUPAC name of (2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide (CID 7026070) is (2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide.
What is the SMILES notation for (2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide?
The canonical SMILES for (2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide is CC[C@@H](C(=O)NN)n1nc([N+](=O)[O-])cc1C.
What is the InChIKey of (2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide?
The InChIKey is GRZGIEUXNPPNPI-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N5O3/c1-3-6(8(14)10-9)12-5(2)4-7(11-12)13(15)16/h4,6H,3,9H2,1-2H3,(H,10,14)/t6-/m0/s1.
What are the key properties of (2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide?
(2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide has a molecular weight of 227.22 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-3-nitropyrazol-1-yl)butanehydrazide is sourced from PubChem (CID 7026070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).