3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide

C20H15F3N4O2 — CID 24645614

IUPAC3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H15F3N4O2/c21-20(22,23)15-8-4-5-13(11-15)9-10-18(28)26-27-19(29)17-12-16(24-25-17)14-6-2-1-3-7-14/h1-12H,(H,24,25)(H,26,28)(H,27,29)/b10-9+
InChIKeyDFPCMFOSPUNRJD-MDZDMXLPSA-N
MW400.36 g/mol
LogP3.57
Rot. Bonds4

About 3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide

3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide (PubChem CID 24645614) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide
PubChem CID24645614
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)NNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H15F3N4O2/c21-20(22,23)15-8-4-5-13(11-15)9-10-18(28)26-27-19(29)17-12-16(24-25-17)14-6-2-1-3-7-14/h1-12H,(H,24,25)(H,26,28)(H,27,29)/b10-9+
InChIKeyDFPCMFOSPUNRJD-MDZDMXLPSA-N
XLogP3.57
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-phenyl-N'-[2-[3-(trifluoromethyl)phenyl]acetyl]-1H-pyrazole-5-carbohydrazide
CID 7907311
2-methyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]benzohydrazide
CID 9220913
(E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide
CID 26840117
N-[(E)-3-oxo-1-phenyl-3-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]prop-1-en-2-yl]acetamide
CID 35945297
N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 2539402
N'-(3-methylbenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 26823847
methyl 3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 121205112
3-phenyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]-1H-pyrazole-5-carboxamide
CID 46925799
(2S)-2-(2-fluorophenoxy)-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]propanehydrazide
CID 7910893
4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzoic acid
CID 13228845
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide (CID 24645614) is 3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide is O=C(/C=C/c1cccc(C(F)(F)F)c1)NNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide?
The InChIKey is DFPCMFOSPUNRJD-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c21-20(22,23)15-8-4-5-13(11-15)9-10-18(28)26-27-19(29)17-12-16(24-25-17)14-6-2-1-3-7-14/h1-12H,(H,24,25)(H,26,28)(H,27,29)/b10-9+.
What are the key properties of 3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide?
3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide has a molecular weight of 400.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N'-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 24645614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).