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

C19H15FN4O2 — CID 8870842

IUPAC4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O2/c20-16-9-7-15(8-10-16)19(26)23-22-18(25)11-6-14-12-21-24(13-14)17-4-2-1-3-5-17/h1-13H,(H,22,25)(H,23,26)/b11-6+
InChIKeyGCVZADFAEVPXMC-IZZDOVSWSA-N
MW350.35 g/mol
LogP2.49
Rot. Bonds4

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

4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide (PubChem CID 8870842) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
PubChem CID8870842
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O2/c20-16-9-7-15(8-10-16)19(26)23-22-18(25)11-6-14-12-21-24(13-14)17-4-2-1-3-5-17/h1-13H,(H,22,25)(H,23,26)/b11-6+
InChIKeyGCVZADFAEVPXMC-IZZDOVSWSA-N
XLogP2.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
CID 8867207
1-(2-fluorophenyl)-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea
CID 9085203
N-[4-[[3-(4-fluorophenyl)prop-2-enoylamino]carbamoyl]phenyl]benzamide
CID 3299354
(E)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 60591843
2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 34759044
(Z)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 170877893
3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 169482421
N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide
CID 98931509
(E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 46535526
(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide
CID 37217328
(E)-1-(4-bromophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 9026830
(E)-N-[(4-fluoro-3-methylphenyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 33305743

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide (CID 8870842) is 4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide is O=C(/C=C/c1cnn(-c2ccccc2)c1)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide?
The InChIKey is GCVZADFAEVPXMC-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H15FN4O2/c20-16-9-7-15(8-10-16)19(26)23-22-18(25)11-6-14-12-21-24(13-14)17-4-2-1-3-5-17/h1-13H,(H,22,25)(H,23,26)/b11-6+.
What are the key properties of 4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide?
4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide has a molecular weight of 350.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 8870842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).