N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide

C25H19N5O4 — CID 26664796

IUPACN'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H19N5O4/c31-23(15-14-18-8-7-13-21(16-18)30(33)34)26-27-25(32)22-17-29(20-11-5-2-6-12-20)28-24(22)19-9-3-1-4-10-19/h1-17H,(H,26,31)(H,27,32)/b15-14+
InChIKeyBPMPIFHLAVKXCA-CCEZHUSRSA-N
MW453.46 g/mol
LogP3.92
Rot. Bonds6

About N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide

N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide (PubChem CID 26664796) has the molecular formula C25H19N5O4 and a molecular weight of 453.46 g/mol. Its IUPAC name is N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide
PubChem CID26664796
Molecular FormulaC25H19N5O4
Molecular Weight453.46 g/mol
Exact Mass453.14
IUPAC NameN'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide
SMILESO=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H19N5O4/c31-23(15-14-18-8-7-13-21(16-18)30(33)34)26-27-25(32)22-17-29(20-11-5-2-6-12-20)28-24(22)19-9-3-1-4-10-19/h1-17H,(H,26,31)(H,27,32)/b15-14+
InChIKeyBPMPIFHLAVKXCA-CCEZHUSRSA-N
XLogP3.92
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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

N'-(2-chloro-4-nitrobenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 35001195
3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
CID 8867207
N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide
CID 9314025
(Z)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-N-phenylprop-2-enamide
CID 2423683
N-(4-acetylphenyl)-3-(3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 1288195
3-nitro-N'-(3-phenylprop-2-enoyl)benzohydrazide
CID 3738377
N-(3-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150668584
N'-[3-(4-nitropyrazol-1-yl)propanoyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 60573626
(E)-3-(3-nitrophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]prop-2-enamide
CID 134000558
N-(3-carbamoyl-4-fluorophenyl)-3-(3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 167974587
N-(3-chlorophenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 151307520
(E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9070905

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide (CID 26664796) is N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide is O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide?
The InChIKey is BPMPIFHLAVKXCA-CCEZHUSRSA-N. The full InChI is InChI=1S/C25H19N5O4/c31-23(15-14-18-8-7-13-21(16-18)30(33)34)26-27-25(32)22-17-29(20-11-5-2-6-12-20)28-24(22)19-9-3-1-4-10-19/h1-17H,(H,26,31)(H,27,32)/b15-14+.
What are the key properties of N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide?
N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide has a molecular weight of 453.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 26664796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).