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

C8H10ClF3N4O — CID 17024551

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NN
InChIInChI=1S/C8H10ClF3N4O/c1-3-5(9)6(8(10,11)12)15-16(3)4(2)7(17)14-13/h4H,13H2,1-2H3,(H,14,17)
InChIKeyFDSLJLHXWFSGAA-UHFFFAOYSA-N
MW270.64 g/mol
LogP1.41
Rot. Bonds2

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (PubChem CID 17024551) has the molecular formula C8H10ClF3N4O and a molecular weight of 270.64 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
PubChem CID17024551
Molecular FormulaC8H10ClF3N4O
Molecular Weight270.64 g/mol
Exact Mass270.05
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NN
InChIInChI=1S/C8H10ClF3N4O/c1-3-5(9)6(8(10,11)12)15-16(3)4(2)7(17)14-13/h4H,13H2,1-2H3,(H,14,17)
InChIKeyFDSLJLHXWFSGAA-UHFFFAOYSA-N
XLogP1.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 51.41
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

N-(butan-2-yl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3124864
N-(tert-butyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazolyl]acetamide
CID 744102
N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 4037655
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(4-methylpiperazin-1-yl)propanamide
CID 4769516
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetohydrazide
CID 7018464
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 19575395
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 1548671
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N,N-diethylacetamide
CID 3455021
(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51390380
2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide
CID 71938717
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 4769674
2-[4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-cyclopropylpropanamide
CID 4770262

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (CID 17024551) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NN.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The InChIKey is FDSLJLHXWFSGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N4O/c1-3-5(9)6(8(10,11)12)15-16(3)4(2)7(17)14-13/h4H,13H2,1-2H3,(H,14,17).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide has a molecular weight of 270.64 g/mol, XLogP of 1.41, 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]propanehydrazide is sourced from PubChem (CID 17024551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).