5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide

C12H11F3N4O3 — CID 24982091

IUPAC5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)o1
InChIInChI=1S/C12H11F3N4O3/c1-7-2-3-8(22-7)11(21)17-16-10(20)6-19-5-4-9(18-19)12(13,14)15/h2-5H,6H2,1H3,(H,16,20)(H,17,21)
InChIKeyIPEPJGJSPUSVMX-UHFFFAOYSA-N
MW316.24 g/mol
LogP1.26
Rot. Bonds3

About 5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide

5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide (PubChem CID 24982091) has the molecular formula C12H11F3N4O3 and a molecular weight of 316.24 g/mol. Its IUPAC name is 5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide
PubChem CID24982091
Molecular FormulaC12H11F3N4O3
Molecular Weight316.24 g/mol
Exact Mass316.08
IUPAC Name5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)o1
InChIInChI=1S/C12H11F3N4O3/c1-7-2-3-8(22-7)11(21)17-16-10(20)6-19-5-4-9(18-19)12(13,14)15/h2-5H,6H2,1H3,(H,16,20)(H,17,21)
InChIKeyIPEPJGJSPUSVMX-UHFFFAOYSA-N
XLogP1.26
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 914321
5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furohydrazide
CID 931585
5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 3259634
N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide
CID 25163116
1-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 4104826
N'-[(E)-(5-methylfuran-2-yl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 5930265
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furohydrazide
CID 840891
5-((4-Chloro-1H-pyrazol-1-yl)methyl)furan-2-carbohydrazide
CID 921549
N'-[(E)-furan-2-ylmethylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 6880038
N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]furan-2-carboxamide
CID 6882179
[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 4184674

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide?
The IUPAC name of 5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide (CID 24982091) is 5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide?
The canonical SMILES for 5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)o1.
What is the InChIKey of 5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide?
The InChIKey is IPEPJGJSPUSVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O3/c1-7-2-3-8(22-7)11(21)17-16-10(20)6-19-5-4-9(18-19)12(13,14)15/h2-5H,6H2,1H3,(H,16,20)(H,17,21).
What are the key properties of 5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide?
5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide has a molecular weight of 316.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 24982091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).