3-(difluoromethyl)-1-ethyl-5-fluoro-N',N'-dimethylpyrazole-4-carbohydrazide

C9H13F3N4O — CID 126483667

IUPAC3-(difluoromethyl)-1-ethyl-5-fluoro-N',N'-dimethylpyrazole-4-carbohydrazide
SMILESCCn1nc(C(F)F)c(C(=O)NN(C)C)c1F
InChIInChI=1S/C9H13F3N4O/c1-4-16-8(12)5(6(13-16)7(10)11)9(17)14-15(2)3/h7H,4H2,1-3H3,(H,14,17)
InChIKeyGIGFCBQPDMAAPM-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.19
Rot. Bonds4

About 3-(difluoromethyl)-1-ethyl-5-fluoro-N',N'-dimethylpyrazole-4-carbohydrazide

3-(difluoromethyl)-1-ethyl-5-fluoro-N',N'-dimethylpyrazole-4-carbohydrazide (PubChem CID 126483667) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-ethyl-5-fluoro-N',N'-dimethylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-ethyl-5-fluoro-N',N'-dimethylpyrazole-4-carbohydrazide
PubChem CID126483667
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name3-(difluoromethyl)-1-ethyl-5-fluoro-N',N'-dimethylpyrazole-4-carbohydrazide
SMILESCCn1nc(C(F)F)c(C(=O)NN(C)C)c1F
InChIInChI=1S/C9H13F3N4O/c1-4-16-8(12)5(6(13-16)7(10)11)9(17)14-15(2)3/h7H,4H2,1-3H3,(H,14,17)
InChIKeyGIGFCBQPDMAAPM-UHFFFAOYSA-N
XLogP1.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-ethyl-5-fluoro-N',N'-dimethylpyrazole-4-carbohydrazide?
The IUPAC name of 3-(difluoromethyl)-1-ethyl-5-fluoro-N',N'-dimethylpyrazole-4-carbohydrazide (CID 126483667) is 3-(difluoromethyl)-1-ethyl-5-fluoro-N',N'-dimethylpyrazole-4-carbohydrazide.
What is the SMILES notation for 3-(difluoromethyl)-1-ethyl-5-fluoro-N',N'-dimethylpyrazole-4-carbohydrazide?
The canonical SMILES for 3-(difluoromethyl)-1-ethyl-5-fluoro-N',N'-dimethylpyrazole-4-carbohydrazide is CCn1nc(C(F)F)c(C(=O)NN(C)C)c1F.
What is the InChIKey of 3-(difluoromethyl)-1-ethyl-5-fluoro-N',N'-dimethylpyrazole-4-carbohydrazide?
The InChIKey is GIGFCBQPDMAAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-4-16-8(12)5(6(13-16)7(10)11)9(17)14-15(2)3/h7H,4H2,1-3H3,(H,14,17).
What are the key properties of 3-(difluoromethyl)-1-ethyl-5-fluoro-N',N'-dimethylpyrazole-4-carbohydrazide?
3-(difluoromethyl)-1-ethyl-5-fluoro-N',N'-dimethylpyrazole-4-carbohydrazide has a molecular weight of 250.22 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-ethyl-5-fluoro-N',N'-dimethylpyrazole-4-carbohydrazide is sourced from PubChem (CID 126483667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).