2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide

C7H9F3N4O — CID 19616373

IUPAC2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESCC(C(=O)NN)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-4(6(15)12-11)14-3-2-5(13-14)7(8,9)10/h2-4H,11H2,1H3,(H,12,15)
InChIKeyZMZLAUHVQWKSMB-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.45
Rot. Bonds2

About 2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide

2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (PubChem CID 19616373) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
PubChem CID19616373
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESCC(C(=O)NN)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O/c1-4(6(15)12-11)14-3-2-5(13-14)7(8,9)10/h2-4H,11H2,1H3,(H,12,15)
InChIKeyZMZLAUHVQWKSMB-UHFFFAOYSA-N
XLogP0.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-Trifluoromethyl-pyrazol-1-yl)-acetic acid hydrazide
CID 2064142
N-tert-butyl-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 2809211
N-[(Z)-(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6219663
N-(2-sulfanylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 177679812
1-methyl-1H-pyrazole-5-carbohydrazide
CID 7020600
N-(hexan-2-ylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4350479
N-[(E)-hexan-2-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9658809
n-(Tert-pentyl)-2-(3-(trifluoromethyl)-1h-pyrazol-1-yl)acetamide
CID 45794451
n-(2-Cyanoethyl)-N-methyl-2-(3-(trifluoromethyl)-1h-pyrazol-1-yl)acetamide
CID 53527215
N-[2-(dimethylamino)ethyl]-N-propan-2-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 99815969
N-methyl-2-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]acetamide
CID 132378598
2-[3-(trifluoromethyl)pyrazol-1-yl]-N'-(5,5,5-trifluoro-4-oxopent-2-en-2-yl)acetohydrazide
CID 132464557

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (CID 19616373) is 2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is CC(C(=O)NN)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The InChIKey is ZMZLAUHVQWKSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-4(6(15)12-11)14-3-2-5(13-14)7(8,9)10/h2-4H,11H2,1H3,(H,12,15).
What are the key properties of 2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide has a molecular weight of 222.17 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is sourced from PubChem (CID 19616373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).