5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide

C12H11F3N4O — CID 82528028

IUPAC5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide
SMILESCc1c(C(=O)NN)cnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N4O/c1-7-8(11(20)18-16)6-17-19(7)10-5-3-2-4-9(10)12(13,14)15/h2-6H,16H2,1H3,(H,18,20)
InChIKeyMEJRWWZLMLOZCL-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.80
Rot. Bonds2

About 5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide

5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide (PubChem CID 82528028) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide
PubChem CID82528028
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide
SMILESCc1c(C(=O)NN)cnn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N4O/c1-7-8(11(20)18-16)6-17-19(7)10-5-3-2-4-9(10)12(13,14)15/h2-6H,16H2,1H3,(H,18,20)
InChIKeyMEJRWWZLMLOZCL-UHFFFAOYSA-N
XLogP1.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.80
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

1-(2-bromophenyl)-5-methylpyrazole-4-carbohydrazide
CID 82528340
2-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid
CID 82528037
N-(1,1-dioxothiolan-3-yl)-5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 42942017
3-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]propanoic acid
CID 82528030
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
5-amino-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 82365365
5-methyl-1-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 108793336
1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 82527528
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119629809
(E)-3-[5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]prop-2-enoic acid
CID 82528031
3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 5125639
5-methyl-1-phenyl-N-[3-[2-(trifluoromethyl)phenyl]prop-2-ynyl]pyrazole-4-carboxamide
CID 90550697

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide?
The IUPAC name of 5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide (CID 82528028) is 5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide is Cc1c(C(=O)NN)cnn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide?
The InChIKey is MEJRWWZLMLOZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-7-8(11(20)18-16)6-17-19(7)10-5-3-2-4-9(10)12(13,14)15/h2-6H,16H2,1H3,(H,18,20).
What are the key properties of 5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide?
5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide has a molecular weight of 284.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 82528028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).