1-methyl-3-(trifluoromethyl)pyrazole-5-carbohydrazide

C6H7F3N4O — CID 7018466

IUPAC1-methyl-3-(trifluoromethyl)pyrazole-5-carbohydrazide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NN
InChIInChI=1S/C6H7F3N4O/c1-13-3(5(14)11-10)2-4(12-13)6(7,8)9/h2H,10H2,1H3,(H,11,14)
InChIKeyQHRRZGLKZRWIFY-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.04
Rot. Bonds1

About 1-methyl-3-(trifluoromethyl)pyrazole-5-carbohydrazide

1-methyl-3-(trifluoromethyl)pyrazole-5-carbohydrazide (PubChem CID 7018466) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)pyrazole-5-carbohydrazide
PubChem CID7018466
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name1-methyl-3-(trifluoromethyl)pyrazole-5-carbohydrazide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NN
InChIInChI=1S/C6H7F3N4O/c1-13-3(5(14)11-10)2-4(12-13)6(7,8)9/h2H,10H2,1H3,(H,11,14)
InChIKeyQHRRZGLKZRWIFY-UHFFFAOYSA-N
XLogP0.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.04
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 1-methyl-3-(trifluoromethyl)pyrazole-5-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-[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 3453921
N,1,5-trimethyl-1H-pyrazole-3-carboxamide
CID 19279808
(1,5-Dimethylpyrazol-3-yl)-[5-(trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]methanone
CID 2738511
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 5140192
1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 2743273
N,N-dimethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1229878
2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide
CID 162540442
1-(tert-Butyl)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 573245
1-Ethyl-3-methyl-1h-pyrazole-5-carbohydrazide
CID 2744172
N-cyclopentyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1236040
4-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbohydrazide
CID 7018468
4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
CID 7019432

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)pyrazole-5-carbohydrazide?
The IUPAC name of 1-methyl-3-(trifluoromethyl)pyrazole-5-carbohydrazide (CID 7018466) is 1-methyl-3-(trifluoromethyl)pyrazole-5-carbohydrazide.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)pyrazole-5-carbohydrazide?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)pyrazole-5-carbohydrazide is Cn1nc(C(F)(F)F)cc1C(=O)NN.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)pyrazole-5-carbohydrazide?
The InChIKey is QHRRZGLKZRWIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c1-13-3(5(14)11-10)2-4(12-13)6(7,8)9/h2H,10H2,1H3,(H,11,14).
What are the key properties of 1-methyl-3-(trifluoromethyl)pyrazole-5-carbohydrazide?
1-methyl-3-(trifluoromethyl)pyrazole-5-carbohydrazide has a molecular weight of 208.14 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)pyrazole-5-carbohydrazide is sourced from PubChem (CID 7018466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).