N'-(2-chlorobenzoyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carbohydrazide

C14H14ClN5O4 — CID 3635249

IUPACN'-(2-chlorobenzoyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carbohydrazide
SMILESCCn1nc(C)c([N+](=O)[O-])c1C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C14H14ClN5O4/c1-3-19-12(11(20(23)24)8(2)18-19)14(22)17-16-13(21)9-6-4-5-7-10(9)15/h4-7H,3H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyVPFNJCYZWPIGTQ-UHFFFAOYSA-N
MW351.75 g/mol
LogP1.85
Rot. Bonds4

About N'-(2-chlorobenzoyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carbohydrazide

N'-(2-chlorobenzoyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carbohydrazide (PubChem CID 3635249) has the molecular formula C14H14ClN5O4 and a molecular weight of 351.75 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carbohydrazide
PubChem CID3635249
Molecular FormulaC14H14ClN5O4
Molecular Weight351.75 g/mol
Exact Mass351.07
IUPAC NameN'-(2-chlorobenzoyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carbohydrazide
SMILESCCn1nc(C)c([N+](=O)[O-])c1C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C14H14ClN5O4/c1-3-19-12(11(20(23)24)8(2)18-19)14(22)17-16-13(21)9-6-4-5-7-10(9)15/h4-7H,3H2,1-2H3,(H,16,21)(H,17,22)
InChIKeyVPFNJCYZWPIGTQ-UHFFFAOYSA-N
XLogP1.85
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 51.85
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

T0511-3166
CID 2341607
2-chloro-N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 7969446
1-(3-Chlorophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
CID 2103541
N'5-(2-chlorobenzoyl)-3-(tert-butyl)-1-methyl-1H-pyrazole-5-carbohydrazide
CID 2744599
N'5-(4-chlorobenzoyl)-1-ethyl-3-methyl-4-nitro-1H-pyrazole-5-carbohydrazide
CID 3739800
N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]benzamide
CID 8487405
N-[(E)-benzylideneamino]-2,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 6874565
N'-(2-chloro-4-nitrobenzoyl)-1-methyl-4-nitro-1H-pyrazole-3-carbohydrazide
CID 4033407
2-Chloro-N'-[(2E)-1-(5-methyl-3-nitro-1H-pyrazol-1-YL)propan-2-ylidene]benzohydrazide
CID 9677280
1-(3-Chlorophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propan-1-one
CID 4018896
3-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)-3,4-dihydro-1(2H)-phthalazinone
CID 756764
1-(4-Chlorobenzyl)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 5239334

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carbohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carbohydrazide (CID 3635249) is N'-(2-chlorobenzoyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carbohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carbohydrazide is CCn1nc(C)c([N+](=O)[O-])c1C(=O)NNC(=O)c1ccccc1Cl.
What is the InChIKey of N'-(2-chlorobenzoyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carbohydrazide?
The InChIKey is VPFNJCYZWPIGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O4/c1-3-19-12(11(20(23)24)8(2)18-19)14(22)17-16-13(21)9-6-4-5-7-10(9)15/h4-7H,3H2,1-2H3,(H,16,21)(H,17,22).
What are the key properties of N'-(2-chlorobenzoyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carbohydrazide?
N'-(2-chlorobenzoyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carbohydrazide has a molecular weight of 351.75 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-1-ethyl-3-methyl-4-nitropyrazole-5-carbohydrazide is sourced from PubChem (CID 3635249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).