N'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide

C22H19N7O4 — CID 60573626

IUPACN'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide
SMILESO=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H19N7O4/c30-20(11-12-27-14-18(13-23-27)29(32)33)24-25-22(31)19-15-28(17-9-5-2-6-10-17)26-21(19)16-7-3-1-4-8-16/h1-10,13-15H,11-12H2,(H,24,30)(H,25,31)
InChIKeyFVTGMJDVJONGRK-UHFFFAOYSA-N
MW445.44 g/mol
LogP2.50
Rot. Bonds7

About N'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide

N'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide (PubChem CID 60573626) has the molecular formula C22H19N7O4 and a molecular weight of 445.44 g/mol. Its IUPAC name is N'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide
PubChem CID60573626
Molecular FormulaC22H19N7O4
Molecular Weight445.44 g/mol
Exact Mass445.15
IUPAC NameN'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide
SMILESO=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H19N7O4/c30-20(11-12-27-14-18(13-23-27)29(32)33)24-25-22(31)19-15-28(17-9-5-2-6-10-17)26-21(19)16-7-3-1-4-8-16/h1-10,13-15H,11-12H2,(H,24,30)(H,25,31)
InChIKeyFVTGMJDVJONGRK-UHFFFAOYSA-N
XLogP2.50
TPSA136.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 35001195
N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
CID 36708528
N-[3-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 34299490
N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 26664796
N-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 35001279
N-(2-aminoethyl)-2-[3-(4-nitropyrazol-1-yl)propanoylamino]benzamide
CID 120603843
N'-[2-(2-methoxyphenyl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 35000948
N-(4-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150426452
N-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 70694214
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2100382
N-(3-chlorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 151307520

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide (CID 60573626) is N'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide is O=C(CCn1cc([N+](=O)[O-])cn1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The InChIKey is FVTGMJDVJONGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O4/c30-20(11-12-27-14-18(13-23-27)29(32)33)24-25-22(31)19-15-28(17-9-5-2-6-10-17)26-21(19)16-7-3-1-4-8-16/h1-10,13-15H,11-12H2,(H,24,30)(H,25,31).
What are the key properties of N'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide?
N'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide has a molecular weight of 445.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 60573626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).