3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide

C19H15N5O4 — CID 8867207

IUPAC3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H15N5O4/c25-18(21-22-19(26)15-5-4-8-17(11-15)24(27)28)10-9-14-12-20-23(13-14)16-6-2-1-3-7-16/h1-13H,(H,21,25)(H,22,26)/b10-9+
InChIKeyPPPFYKROOLWQAR-MDZDMXLPSA-N
MW377.36 g/mol
LogP2.25
Rot. Bonds5

About 3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide

3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide (PubChem CID 8867207) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is 3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
PubChem CID8867207
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC Name3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H15N5O4/c25-18(21-22-19(26)15-5-4-8-17(11-15)24(27)28)10-9-14-12-20-23(13-14)16-6-2-1-3-7-16/h1-13H,(H,21,25)(H,22,26)/b10-9+
InChIKeyPPPFYKROOLWQAR-MDZDMXLPSA-N
XLogP2.25
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.25
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

3-nitro-N'-(3-phenylprop-2-enoyl)benzohydrazide
CID 3738377
(E)-N-(3-nitrophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9070905
4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
CID 8870842
N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 26664796
N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 9033820
3-nitro-N'-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
CID 9333456
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 8713168
N'-[3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]-3-nitrobenzohydrazide
CID 55510645
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 6133004
(E)-3-(3-nitrophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]prop-2-enamide
CID 134000558
N'-(3-naphthalen-1-ylprop-2-enoyl)-3-nitrobenzohydrazide
CID 5191128
N'-(3-methylbut-2-enoyl)-3-nitrobenzohydrazide
CID 47101061

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide (CID 8867207) is 3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide is O=C(/C=C/c1cnn(-c2ccccc2)c1)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide?
The InChIKey is PPPFYKROOLWQAR-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H15N5O4/c25-18(21-22-19(26)15-5-4-8-17(11-15)24(27)28)10-9-14-12-20-23(13-14)16-6-2-1-3-7-16/h1-13H,(H,21,25)(H,22,26)/b10-9+.
What are the key properties of 3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide?
3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide has a molecular weight of 377.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 8867207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).