5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide

C7H9F3N4O — CID 67958700

IUPAC5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide
SMILESCc1c(C(=O)NN)cnn1CC(F)(F)F
InChIInChI=1S/C7H9F3N4O/c1-4-5(6(15)13-11)2-12-14(4)3-7(8,9)10/h2H,3,11H2,1H3,(H,13,15)
InChIKeySZIFXAIMNLJEJD-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.36
Rot. Bonds2

About 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide

5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide (PubChem CID 67958700) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide
PubChem CID67958700
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide
SMILESCc1c(C(=O)NN)cnn1CC(F)(F)F
InChIInChI=1S/C7H9F3N4O/c1-4-5(6(15)13-11)2-12-14(4)3-7(8,9)10/h2H,3,11H2,1H3,(H,13,15)
InChIKeySZIFXAIMNLJEJD-UHFFFAOYSA-N
XLogP0.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.36
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'}

Analyze 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 22374064
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 46928351
2-[(1,3-dimethyl-1H-pyrazol-4-yl)carbonyl]-N-methylhydrazinecarbothioamide
CID 843740
1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 665356
1,3-dimethyl-1H-pyrazole-4-carbohydrazide
CID 4188482
1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one
CID 6401375
1-(2,2-difluoroethyl)-3-methyl-1H-pyrazole-4-carbaldehyde
CID 19622851
5-(Difluoromethyl)-1-methyl-1h-pyrazole-4-carbaldehyde
CID 53405923
1,3-dimethyl-1H-pyrazole-4-carbohydrazide hydrochloride
CID 145867203
1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097
1-tert-butyl-N-[3-[methyl(propan-2-yl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51090894
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide?
The IUPAC name of 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide (CID 67958700) is 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide is Cc1c(C(=O)NN)cnn1CC(F)(F)F.
What is the InChIKey of 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide?
The InChIKey is SZIFXAIMNLJEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-4-5(6(15)13-11)2-12-14(4)3-7(8,9)10/h2H,3,11H2,1H3,(H,13,15).
What are the key properties of 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide?
5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide has a molecular weight of 222.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 67958700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).