ethane;4-fluoro-1,5-dimethylpyrazole

C7H13FN2 — CID 143958566

IUPACethane;4-fluoro-1,5-dimethylpyrazole
SMILESCC.Cc1c(F)cnn1C
InChIInChI=1S/C5H7FN2.C2H6/c1-4-5(6)3-7-8(4)2;1-2/h3H,1-2H3;1-2H3
InChIKeyBOXUKCJVIYIIAE-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.89
Rot. Bonds

About ethane;4-fluoro-1,5-dimethylpyrazole

ethane;4-fluoro-1,5-dimethylpyrazole (PubChem CID 143958566) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is ethane;4-fluoro-1,5-dimethylpyrazole.

Molecular Properties

Compound Nameethane;4-fluoro-1,5-dimethylpyrazole
PubChem CID143958566
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Nameethane;4-fluoro-1,5-dimethylpyrazole
SMILESCC.Cc1c(F)cnn1C
InChIInChI=1S/C5H7FN2.C2H6/c1-4-5(6)3-7-8(4)2;1-2/h3H,1-2H3;1-2H3
InChIKeyBOXUKCJVIYIIAE-UHFFFAOYSA-N
XLogP1.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1,5-dimethylpyrazole;ethane
CID 156642673
5-ethyl-4-fluoro-1-methylpyrazole
CID 123448129
4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole
CID 121385904
6-fluoro-1,7-dimethylindazole
CID 83381543
(2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 105101862
1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 105149342
(1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 105096035
1,5-dimethyl-4-prop-1-en-2-ylpyrazole
CID 58550088
5,6-difluoro-1-methylindazole
CID 159529872
6-chloro-4-fluoro-1-methylindazole
CID 141365028
(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 79584482
1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 103924707

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-1,5-dimethylpyrazole?
The IUPAC name of ethane;4-fluoro-1,5-dimethylpyrazole (CID 143958566) is ethane;4-fluoro-1,5-dimethylpyrazole.
What is the SMILES notation for ethane;4-fluoro-1,5-dimethylpyrazole?
The canonical SMILES for ethane;4-fluoro-1,5-dimethylpyrazole is CC.Cc1c(F)cnn1C.
What is the InChIKey of ethane;4-fluoro-1,5-dimethylpyrazole?
The InChIKey is BOXUKCJVIYIIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2.C2H6/c1-4-5(6)3-7-8(4)2;1-2/h3H,1-2H3;1-2H3.
What are the key properties of ethane;4-fluoro-1,5-dimethylpyrazole?
ethane;4-fluoro-1,5-dimethylpyrazole has a molecular weight of 144.19 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-1,5-dimethylpyrazole is sourced from PubChem (CID 143958566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).