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

C12H10F3N5O2 — CID 24816597

IUPACN'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyridine-3-carbohydrazide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1cccnc1
InChIInChI=1S/C12H10F3N5O2/c13-12(14,15)9-3-5-20(19-9)7-10(21)17-18-11(22)8-2-1-4-16-6-8/h1-6H,7H2,(H,17,21)(H,18,22)
InChIKeySTIKCQVZGYYYFS-UHFFFAOYSA-N
MW313.24 g/mol
LogP0.76
Rot. Bonds3

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

N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyridine-3-carbohydrazide (PubChem CID 24816597) has the molecular formula C12H10F3N5O2 and a molecular weight of 313.24 g/mol. Its IUPAC name is N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyridine-3-carbohydrazide
PubChem CID24816597
Molecular FormulaC12H10F3N5O2
Molecular Weight313.24 g/mol
Exact Mass313.08
IUPAC NameN'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyridine-3-carbohydrazide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1cccnc1
InChIInChI=1S/C12H10F3N5O2/c13-12(14,15)9-3-5-20(19-9)7-10(21)17-18-11(22)8-2-1-4-16-6-8/h1-6H,7H2,(H,17,21)(H,18,22)
InChIKeySTIKCQVZGYYYFS-UHFFFAOYSA-N
XLogP0.76
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 50.76
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]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyridine-3-carbohydrazide (CID 24816597) is N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyridine-3-carbohydrazide is O=C(Cn1ccc(C(F)(F)F)n1)NNC(=O)c1cccnc1.
What is the InChIKey of N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyridine-3-carbohydrazide?
The InChIKey is STIKCQVZGYYYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O2/c13-12(14,15)9-3-5-20(19-9)7-10(21)17-18-11(22)8-2-1-4-16-6-8/h1-6H,7H2,(H,17,21)(H,18,22).
What are the key properties of N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyridine-3-carbohydrazide?
N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyridine-3-carbohydrazide has a molecular weight of 313.24 g/mol, XLogP of 0.76, 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]pyridine-3-carbohydrazide is sourced from PubChem (CID 24816597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).