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

C8H11F3N4O — CID 7026272

IUPAC(2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESCc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)NN
InChIInChI=1S/C8H11F3N4O/c1-4-3-6(8(9,10)11)14-15(4)5(2)7(16)13-12/h3,5H,12H2,1-2H3,(H,13,16)/t5-/m0/s1
InChIKeyHPTFYRANMPSELV-YFKPBYRVSA-N
MW236.20 g/mol
LogP0.76
Rot. Bonds2

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

(2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (PubChem CID 7026272) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is (2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.

Molecular Properties

Compound Name(2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
PubChem CID7026272
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name(2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESCc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)NN
InChIInChI=1S/C8H11F3N4O/c1-4-3-6(8(9,10)11)14-15(4)5(2)7(16)13-12/h3,5H,12H2,1-2H3,(H,13,16)/t5-/m0/s1
InChIKeyHPTFYRANMPSELV-YFKPBYRVSA-N
XLogP0.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.76
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-(2-methylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534685
N-cyclopentyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 4772164
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide
CID 19534633
N-[2-(diethylamino)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534882
(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide
CID 7018494
(2S)-N-(4-methylcyclohexyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 51390590
4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]benzoic acid
CID 51388427
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534867
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534842
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534766
N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 56725382
1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide
CID 35592634

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The IUPAC name of (2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (CID 7026272) is (2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.
What is the SMILES notation for (2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The canonical SMILES for (2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)NN.
What is the InChIKey of (2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The InChIKey is HPTFYRANMPSELV-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-4-3-6(8(9,10)11)14-15(4)5(2)7(16)13-12/h3,5H,12H2,1-2H3,(H,13,16)/t5-/m0/s1.
What are the key properties of (2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
(2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide has a molecular weight of 236.20 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is sourced from PubChem (CID 7026272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).