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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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).