3-(difluoromethyl)-1-methylpyrazole-4-carbohydrazide

C6H8F2N4O — CID 141450106

IUPAC3-(difluoromethyl)-1-methylpyrazole-4-carbohydrazide
SMILESCn1cc(C(=O)NN)c(C(F)F)n1
InChIInChI=1S/C6H8F2N4O/c1-12-2-3(6(13)10-9)4(11-12)5(7)8/h2,5H,9H2,1H3,(H,10,13)
InChIKeyZJBIAYWOGJOISC-UHFFFAOYSA-N
MW190.15 g/mol
LogP-0.04
Rot. Bonds2

About 3-(difluoromethyl)-1-methylpyrazole-4-carbohydrazide

3-(difluoromethyl)-1-methylpyrazole-4-carbohydrazide (PubChem CID 141450106) has the molecular formula C6H8F2N4O and a molecular weight of 190.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methylpyrazole-4-carbohydrazide
PubChem CID141450106
Molecular FormulaC6H8F2N4O
Molecular Weight190.15 g/mol
Exact Mass190.07
IUPAC Name3-(difluoromethyl)-1-methylpyrazole-4-carbohydrazide
SMILESCn1cc(C(=O)NN)c(C(F)F)n1
InChIInChI=1S/C6H8F2N4O/c1-12-2-3(6(13)10-9)4(11-12)5(7)8/h2,5H,9H2,1H3,(H,10,13)
InChIKeyZJBIAYWOGJOISC-UHFFFAOYSA-N
XLogP-0.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-0.04
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'}

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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
3-(Difluoromethyl)-1-methyl-1 H-pyrazole-4-carbonyl chloride
CID 15340110
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
3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde
CID 53302064
5-(Difluoromethyl)-1-methyl-1h-pyrazole-4-carbaldehyde
CID 53405923
1-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)ethan-1-one
CID 59942311
1,3-dimethyl-1H-pyrazole-4-carbohydrazide hydrochloride
CID 145867203

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methylpyrazole-4-carbohydrazide?
The IUPAC name of 3-(difluoromethyl)-1-methylpyrazole-4-carbohydrazide (CID 141450106) is 3-(difluoromethyl)-1-methylpyrazole-4-carbohydrazide.
What is the SMILES notation for 3-(difluoromethyl)-1-methylpyrazole-4-carbohydrazide?
The canonical SMILES for 3-(difluoromethyl)-1-methylpyrazole-4-carbohydrazide is Cn1cc(C(=O)NN)c(C(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-1-methylpyrazole-4-carbohydrazide?
The InChIKey is ZJBIAYWOGJOISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O/c1-12-2-3(6(13)10-9)4(11-12)5(7)8/h2,5H,9H2,1H3,(H,10,13).
What are the key properties of 3-(difluoromethyl)-1-methylpyrazole-4-carbohydrazide?
3-(difluoromethyl)-1-methylpyrazole-4-carbohydrazide has a molecular weight of 190.15 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methylpyrazole-4-carbohydrazide is sourced from PubChem (CID 141450106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).