(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide

C8H12F2N4O — CID 7018494

IUPAC(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide
SMILESCc1cc(C(F)F)nn1[C@H](C)C(=O)NN
InChIInChI=1S/C8H12F2N4O/c1-4-3-6(7(9)10)13-14(4)5(2)8(15)12-11/h3,5,7H,11H2,1-2H3,(H,12,15)/t5-/m1/s1
InChIKeyLMFGLKDQYMJMDO-RXMQYKEDSA-N
MW218.21 g/mol
LogP0.68
Rot. Bonds3

About (2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide

(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide (PubChem CID 7018494) has the molecular formula C8H12F2N4O and a molecular weight of 218.21 g/mol. Its IUPAC name is (2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide.

Molecular Properties

Compound Name(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide
PubChem CID7018494
Molecular FormulaC8H12F2N4O
Molecular Weight218.21 g/mol
Exact Mass218.10
IUPAC Name(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide
SMILESCc1cc(C(F)F)nn1[C@H](C)C(=O)NN
InChIInChI=1S/C8H12F2N4O/c1-4-3-6(7(9)10)13-14(4)5(2)8(15)12-11/h3,5,7H,11H2,1-2H3,(H,12,15)/t5-/m1/s1
InChIKeyLMFGLKDQYMJMDO-RXMQYKEDSA-N
XLogP0.68
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.68
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-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539324
(2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
CID 7026272
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 19539415
2-(5-methyl-3-nitropyrazol-1-yl)propanehydrazide
CID 17024630
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 19539387
N-(4-bromo-2-fluorophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539341
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19535324
N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539446
N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539526
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(5-fluorothiophen-2-yl)methylideneamino]propanamide
CID 171130784
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-(dipentylamino)propan-2-yl]propanamide
CID 19539421
(2S)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1S)-1-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]propanamide
CID 92555673

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide?
The IUPAC name of (2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide (CID 7018494) is (2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide.
What is the SMILES notation for (2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide?
The canonical SMILES for (2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide is Cc1cc(C(F)F)nn1[C@H](C)C(=O)NN.
What is the InChIKey of (2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide?
The InChIKey is LMFGLKDQYMJMDO-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H12F2N4O/c1-4-3-6(7(9)10)13-14(4)5(2)8(15)12-11/h3,5,7H,11H2,1-2H3,(H,12,15)/t5-/m1/s1.
What are the key properties of (2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide?
(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide has a molecular weight of 218.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide is sourced from PubChem (CID 7018494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).