N'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide

C11H11N5O3 — CID 3958331

IUPACN'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide
SMILESCn1cc([N+](=O)[O-])c(NNC(=O)c2ccccc2)n1
InChIInChI=1S/C11H11N5O3/c1-15-7-9(16(18)19)10(14-15)12-13-11(17)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,14)(H,13,17)
InChIKeyLPSBKYYUCQHLSR-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.09
Rot. Bonds4

About N'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide

N'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide (PubChem CID 3958331) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is N'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide
PubChem CID3958331
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC NameN'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide
SMILESCn1cc([N+](=O)[O-])c(NNC(=O)c2ccccc2)n1
InChIInChI=1S/C11H11N5O3/c1-15-7-9(16(18)19)10(14-15)12-13-11(17)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,14)(H,13,17)
InChIKeyLPSBKYYUCQHLSR-UHFFFAOYSA-N
XLogP1.09
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.09
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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Related Compounds

N'-(2-nitrophenyl)benzohydrazide
CID 3718054
2-[(1-methyl-4-nitropyrazol-3-yl)amino]-2-phenylethanol
CID 103079907
1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide
CID 536040
N'-[6-(2-benzoylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22535003
N'-[6-(diethylamino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 23488754
N'-(2-nitro-3-pyridinyl)benzohydrazide
CID 14387403
2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide
CID 103079637
1-methyl-4-nitro-N-(2-phenylsulfanylethyl)pyrazol-3-amine
CID 103079739
N-(2-methyl-7-nitroindazol-5-yl)sulfonylbenzamide
CID 153324931
N'-[6-(4-acetylanilino)-5-nitropyrimidin-4-yl]benzohydrazide
CID 22533609
4-N-(1-methyl-4-nitropyrazol-3-yl)benzene-1,4-diamine
CID 103079512
1-[(1-methyl-4-nitropyrazol-3-yl)amino]cyclohexane-1-carboxylic acid
CID 103079277

Frequently Asked Questions

What is the IUPAC name of N'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide?
The IUPAC name of N'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide (CID 3958331) is N'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide.
What is the SMILES notation for N'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide?
The canonical SMILES for N'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide is Cn1cc([N+](=O)[O-])c(NNC(=O)c2ccccc2)n1.
What is the InChIKey of N'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide?
The InChIKey is LPSBKYYUCQHLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-15-7-9(16(18)19)10(14-15)12-13-11(17)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,14)(H,13,17).
What are the key properties of N'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide?
N'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide has a molecular weight of 261.24 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methyl-4-nitropyrazol-3-yl)benzohydrazide is sourced from PubChem (CID 3958331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).