(2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide

C7H11N5O3 — CID 7018442

IUPAC(2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
SMILESCc1nn([C@H](C)C(=O)NN)cc1[N+](=O)[O-]
InChIInChI=1S/C7H11N5O3/c1-4-6(12(14)15)3-11(10-4)5(2)7(13)9-8/h3,5H,8H2,1-2H3,(H,9,13)/t5-/m1/s1
InChIKeyROUYCFUPMQOKSR-RXMQYKEDSA-N
MW213.20 g/mol
LogP-0.35
Rot. Bonds3

About (2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide

(2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide (PubChem CID 7018442) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is (2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name(2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
PubChem CID7018442
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name(2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
SMILESCc1nn([C@H](C)C(=O)NN)cc1[N+](=O)[O-]
InChIInChI=1S/C7H11N5O3/c1-4-6(12(14)15)3-11(10-4)5(2)7(13)9-8/h3,5H,8H2,1-2H3,(H,9,13)/t5-/m1/s1
InChIKeyROUYCFUPMQOKSR-RXMQYKEDSA-N
XLogP-0.35
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-0.35
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-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393506
N-(2,6-dichlorophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19533024
2-(4-bromo-3-nitropyrazol-1-yl)propanehydrazide
CID 63581855
2-(3-methyl-4-nitropyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19533089
2-(3-methyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4771380
N,1-dimethyl-4-[2-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19533250
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19469043
2-(3-methyl-4-nitropyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
CID 19533179
N-(1-methylbenzimidazol-2-yl)-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19533055
methyl 1-methyl-4-[2-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxylate
CID 19342217
(2R)-N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 98331541
N-[1-(1-adamantyl)propyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19533100

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide?
The IUPAC name of (2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide (CID 7018442) is (2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide.
What is the SMILES notation for (2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide?
The canonical SMILES for (2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide is Cc1nn([C@H](C)C(=O)NN)cc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide?
The InChIKey is ROUYCFUPMQOKSR-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-4-6(12(14)15)3-11(10-4)5(2)7(13)9-8/h3,5H,8H2,1-2H3,(H,9,13)/t5-/m1/s1.
What are the key properties of (2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide?
(2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide has a molecular weight of 213.20 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide is sourced from PubChem (CID 7018442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).