5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide

C12H11N5O4 — CID 4028568

IUPAC5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1
InChIInChI=1S/C12H11N5O4/c1-7-5-10(14-13-7)12(19)16-15-11(18)8-3-2-4-9(6-8)17(20)21/h2-6H,1H3,(H,13,14)(H,15,18)(H,16,19)
InChIKeyQKMVWKSVCHEOJQ-UHFFFAOYSA-N
MW289.25 g/mol
LogP0.70
Rot. Bonds3

About 5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide

5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide (PubChem CID 4028568) has the molecular formula C12H11N5O4 and a molecular weight of 289.25 g/mol. Its IUPAC name is 5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide
PubChem CID4028568
Molecular FormulaC12H11N5O4
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1
InChIInChI=1S/C12H11N5O4/c1-7-5-10(14-13-7)12(19)16-15-11(18)8-3-2-4-9(6-8)17(20)21/h2-6H,1H3,(H,13,14)(H,15,18)(H,16,19)
InChIKeyQKMVWKSVCHEOJQ-UHFFFAOYSA-N
XLogP0.70
TPSA130.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'-(4-Isopropylbenzylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 6862315
3-Isopropyl-N'-(3-phenyl-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 1606508
N'-(3-Methyl-4-nitro-1H-pyrazol-5-yl)benzohydrazide
CID 3401729
N'-(4-Ethylbenzylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 6862328
3-phenyl-1H-pyrazole-5-carbohydrazide
CID 727014
5-methyl-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 6884814
5-cyclopropyl-N-(1-phenylpropylideneamino)-1H-pyrazole-3-carboxamide
CID 9616968
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]propanamide
CID 5957813
N'-Benzylidene-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 6867349
N'-[3-(2-nitrophenyl)-2-propen-1-ylidene]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 5344220
(Z)-N'-(1-(4-chlorophenyl)ethylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 5450497
(E)-N'-(1-(4-fluorophenyl)ethylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 9665258

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide (CID 4028568) is 5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)n[nH]1.
What is the InChIKey of 5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide?
The InChIKey is QKMVWKSVCHEOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O4/c1-7-5-10(14-13-7)12(19)16-15-11(18)8-3-2-4-9(6-8)17(20)21/h2-6H,1H3,(H,13,14)(H,15,18)(H,16,19).
What are the key properties of 5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide?
5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide has a molecular weight of 289.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 4028568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).