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

C11H9F3N4O3 — CID 25163116

IUPACN'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1ccco1
InChIInChI=1S/C11H9F3N4O3/c12-11(13,14)8-3-4-18(17-8)6-9(19)15-16-10(20)7-2-1-5-21-7/h1-5H,6H2,(H,15,19)(H,16,20)
InChIKeyIANUZKFCIHHMKX-UHFFFAOYSA-N
MW302.21 g/mol
LogP0.96
Rot. Bonds3

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

N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide (PubChem CID 25163116) has the molecular formula C11H9F3N4O3 and a molecular weight of 302.21 g/mol. Its IUPAC name is N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide
PubChem CID25163116
Molecular FormulaC11H9F3N4O3
Molecular Weight302.21 g/mol
Exact Mass302.06
IUPAC NameN'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1ccco1
InChIInChI=1S/C11H9F3N4O3/c12-11(13,14)8-3-4-18(17-8)6-9(19)15-16-10(20)7-2-1-5-21-7/h1-5H,6H2,(H,15,19)(H,16,20)
InChIKeyIANUZKFCIHHMKX-UHFFFAOYSA-N
XLogP0.96
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 50.96
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-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 3259634
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]furan-2-carbohydrazide
CID 9579633
n-(3-(3,5-Dimethyl-1h-pyrazol-1-yl)propyl)furan-2-carboxamide
CID 19293679
N'-[(E)-(5-methylfuran-2-yl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 5930265
N'-[1-(2-furyl)ethylidene]-1-methyl-1H-pyrazole-3-carbohydrazide
CID 9600460
N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 742286
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
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N'-[(E)-furan-2-ylmethylidene]acetohydrazide
CID 9556917
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6908235

Frequently Asked Questions

What is the IUPAC name of N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide (CID 25163116) is N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide is O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide?
The InChIKey is IANUZKFCIHHMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3/c12-11(13,14)8-3-4-18(17-8)6-9(19)15-16-10(20)7-2-1-5-21-7/h1-5H,6H2,(H,15,19)(H,16,20).
What are the key properties of N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide?
N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide has a molecular weight of 302.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 25163116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).