5-ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole

C7H13FN2 — CID 146393159

IUPAC5-ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole
SMILESCCC1=C(F)C(C)N(C)N1
InChIInChI=1S/C7H13FN2/c1-4-6-7(8)5(2)10(3)9-6/h5,9H,4H2,1-3H3
InChIKeyAJLODTGQAYAFIH-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.42
Rot. Bonds1

About 5-ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole

5-ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole (PubChem CID 146393159) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 5-ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name5-ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole
PubChem CID146393159
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name5-ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole
SMILESCCC1=C(F)C(C)N(C)N1
InChIInChI=1S/C7H13FN2/c1-4-6-7(8)5(2)10(3)9-6/h5,9H,4H2,1-3H3
InChIKeyAJLODTGQAYAFIH-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethyl-3-(trifluoromethyl)-1,5-dihydropyrazole
CID 89932272
3,5-Bis(difluoromethyl)-2-methyl-1,3-dihydropyrazole
CID 135267363
4-fluoro-1,2,3,5-tetramethyl-3H-pyrazole
CID 146384606
2,3-Dimethyl-5-(trifluoromethyl)-1,5-dihydropyrazole
CID 147728329
4-fluoro-3,5-dimethyl-2,3-dihydro-1H-pyrazole
CID 166678110
2,5-Dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole
CID 162544160
4-Chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole
CID 162546563
4-Chloro-5-ethyl-2-methyl-3-(trifluoromethyl)-1,3-dihydropyrazole
CID 162550148
2,3,4,5-Tetramethyl-1,5-dihydropyrazole
CID 18716064
2,3,5-Trimethyl-1,3-dihydropyrazole
CID 90911966
5-Ethyl-2,4-dimethyl-1,3-dihydropyrazole
CID 146393082
4-Methanidyl-2,3,5-trimethyl-1,5-dihydropyrazole;uranium
CID 149547395

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole?
The IUPAC name of 5-ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole (CID 146393159) is 5-ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole.
What is the SMILES notation for 5-ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole?
The canonical SMILES for 5-ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole is CCC1=C(F)C(C)N(C)N1.
What is the InChIKey of 5-ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole?
The InChIKey is AJLODTGQAYAFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-4-6-7(8)5(2)10(3)9-6/h5,9H,4H2,1-3H3.
What are the key properties of 5-ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole?
5-ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole has a molecular weight of 144.19 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-fluoro-2,3-dimethyl-1,3-dihydropyrazole is sourced from PubChem (CID 146393159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).