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

C8H10ClF3N4O — CID 7026053

IUPAC(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESCc1c(Cl)c(C(F)(F)F)nn1[C@@H](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)/t4-/m0/s1
InChIKeyFDSLJLHXWFSGAA-BYPYZUCNSA-N
MW270.64 g/mol
LogP1.41
Rot. Bonds2

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

(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (PubChem CID 7026053) has the molecular formula C8H10ClF3N4O and a molecular weight of 270.64 g/mol. Its IUPAC name is (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
PubChem CID7026053
Molecular FormulaC8H10ClF3N4O
Molecular Weight270.64 g/mol
Exact Mass270.05
IUPAC Name(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESCc1c(Cl)c(C(F)(F)F)nn1[C@@H](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)/t4-/m0/s1
InChIKeyFDSLJLHXWFSGAA-BYPYZUCNSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The IUPAC name of (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (CID 7026053) is (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.
What is the SMILES notation for (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The canonical SMILES for (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)NN.
What is the InChIKey of (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The InChIKey is FDSLJLHXWFSGAA-BYPYZUCNSA-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)/t4-/m0/s1.
What are the key properties of (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
(2S)-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 (2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is sourced from PubChem (CID 7026053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).