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

C9H13F3N4O — CID 7026089

IUPAC(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESCc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)NN
InChIInChI=1S/C9H13F3N4O/c1-5(8(17)14-13)4-16-6(2)3-7(15-16)9(10,11)12/h3,5H,4,13H2,1-2H3,(H,14,17)/t5-/m1/s1
InChIKeyWMYCFCXEWMSLMY-RXMQYKEDSA-N
MW250.22 g/mol
LogP0.84
Rot. Bonds3

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

(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (PubChem CID 7026089) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is (2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.

Molecular Properties

Compound Name(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
PubChem CID7026089
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
SMILESCc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)NN
InChIInChI=1S/C9H13F3N4O/c1-5(8(17)14-13)4-16-6(2)3-7(15-16)9(10,11)12/h3,5H,4,13H2,1-2H3,(H,14,17)/t5-/m1/s1
InChIKeyWMYCFCXEWMSLMY-RXMQYKEDSA-N
XLogP0.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.84
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

2-(3,5-dimethyl-1H-pyrazol-1-yl)acetohydrazide
CID 821228
1-(2-Methylpropyl)-3-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiourea
CID 4765761
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 720035
N'-[(2E)-3,3-dimethylbutan-2-ylidene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanehydrazide
CID 9637282
N-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanamide
CID 4770051
2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(propan-2-yl)propanamide
CID 5241859
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclobutanecarboxamide
CID 35290161
3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 767358
N,N-diethyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 135065447
N-(4-methyl-1-piperazinyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 847249
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-propylpropanamide
CID 19557488
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-3-(4-methylpiperazin-1-yl)propanamide
CID 118770646

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The IUPAC name of (2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide (CID 7026089) is (2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide.
What is the SMILES notation for (2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The canonical SMILES for (2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)NN.
What is the InChIKey of (2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
The InChIKey is WMYCFCXEWMSLMY-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-5(8(17)14-13)4-16-6(2)3-7(15-16)9(10,11)12/h3,5H,4,13H2,1-2H3,(H,14,17)/t5-/m1/s1.
What are the key properties of (2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide?
(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide has a molecular weight of 250.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide is sourced from PubChem (CID 7026089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).