2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide

C7H8ClF3N4O — CID 7018464

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)NN
InChIInChI=1S/C7H8ClF3N4O/c1-3-5(8)6(7(9,10)11)14-15(3)2-4(16)13-12/h2,12H2,1H3,(H,13,16)
InChIKeyPRYIWEINZMGWSH-UHFFFAOYSA-N
MW256.62 g/mol
LogP0.85
Rot. Bonds2

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (PubChem CID 7018464) has the molecular formula C7H8ClF3N4O and a molecular weight of 256.62 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
PubChem CID7018464
Molecular FormulaC7H8ClF3N4O
Molecular Weight256.62 g/mol
Exact Mass256.03
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
SMILESCc1c(Cl)c(C(F)(F)F)nn1CC(=O)NN
InChIInChI=1S/C7H8ClF3N4O/c1-3-5(8)6(7(9,10)11)14-15(3)2-4(16)13-12/h2,12H2,1H3,(H,13,16)
InChIKeyPRYIWEINZMGWSH-UHFFFAOYSA-N
XLogP0.85
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.62
LogP ≤ 50.85
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide (CID 7018464) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NN.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
The InChIKey is PRYIWEINZMGWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N4O/c1-3-5(8)6(7(9,10)11)14-15(3)2-4(16)13-12/h2,12H2,1H3,(H,13,16).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide has a molecular weight of 256.62 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide is sourced from PubChem (CID 7018464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).