1-ethyl-5-fluoro-3,4-dimethylpyrazole

C7H11FN2 — CID 89326157

IUPAC1-ethyl-5-fluoro-3,4-dimethylpyrazole
SMILESCCn1nc(C)c(C)c1F
InChIInChI=1S/C7H11FN2/c1-4-10-7(8)5(2)6(3)9-10/h4H2,1-3H3
InChIKeyGTXYBHXIDJQSFM-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.66
Rot. Bonds1

About 1-ethyl-5-fluoro-3,4-dimethylpyrazole

1-ethyl-5-fluoro-3,4-dimethylpyrazole (PubChem CID 89326157) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-3,4-dimethylpyrazole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-3,4-dimethylpyrazole
PubChem CID89326157
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name1-ethyl-5-fluoro-3,4-dimethylpyrazole
SMILESCCn1nc(C)c(C)c1F
InChIInChI=1S/C7H11FN2/c1-4-10-7(8)5(2)6(3)9-10/h4H2,1-3H3
InChIKeyGTXYBHXIDJQSFM-UHFFFAOYSA-N
XLogP1.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
1,4,5-Trimethylpyrazole
CID 12115801
4-Fluoro-1,3,5-trimethyl-1H-pyrazole
CID 89719861
4-(chloromethyl)-5-fluoro-1,3-dimethyl-1H-pyrazole hydrochloride
CID 126965018
5-fluoro-1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 145913324
5-chloro-1,3,4-trimethyl-1H-pyrazole
CID 21766262
4-bromomethyl-5-fluoro-1-methyl-3-trifluoromethyl-1H-pyrazole
CID 17862889
1-Ethyl-4-methyl-5-(trifluoromethyl)pyrazole
CID 20686646
1-(Difluoromethyl)-3,4,5-trimethylpyrazole
CID 21136569
4-bromomethyl-1-ethyl-5-fluoro-3-trifluoromethyl-1H-pyrazole
CID 22934897
1,3,5-Trimethyl-4-(trifluoromethyl)-1H-pyrazole
CID 22980766
5-Fluoro-1,3,4-trimethylpyrazole
CID 22980788

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-3,4-dimethylpyrazole?
The IUPAC name of 1-ethyl-5-fluoro-3,4-dimethylpyrazole (CID 89326157) is 1-ethyl-5-fluoro-3,4-dimethylpyrazole.
What is the SMILES notation for 1-ethyl-5-fluoro-3,4-dimethylpyrazole?
The canonical SMILES for 1-ethyl-5-fluoro-3,4-dimethylpyrazole is CCn1nc(C)c(C)c1F.
What is the InChIKey of 1-ethyl-5-fluoro-3,4-dimethylpyrazole?
The InChIKey is GTXYBHXIDJQSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-4-10-7(8)5(2)6(3)9-10/h4H2,1-3H3.
What are the key properties of 1-ethyl-5-fluoro-3,4-dimethylpyrazole?
1-ethyl-5-fluoro-3,4-dimethylpyrazole has a molecular weight of 142.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-3,4-dimethylpyrazole is sourced from PubChem (CID 89326157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).