ethane;4-fluoro-1-methylpyrazole

C8H17FN2 — CID 177338163

IUPACethane;4-fluoro-1-methylpyrazole
SMILESCC.CC.Cn1cc(F)cn1
InChIInChI=1S/C4H5FN2.2C2H6/c1-7-3-4(5)2-6-7;2*1-2/h2-3H,1H3;2*1-2H3
InChIKeyMNYITTJOVQTNKU-UHFFFAOYSA-N
MW160.24 g/mol
LogP2.61
Rot. Bonds

About ethane;4-fluoro-1-methylpyrazole

ethane;4-fluoro-1-methylpyrazole (PubChem CID 177338163) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is ethane;4-fluoro-1-methylpyrazole.

Molecular Properties

Compound Nameethane;4-fluoro-1-methylpyrazole
PubChem CID177338163
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Nameethane;4-fluoro-1-methylpyrazole
SMILESCC.CC.Cn1cc(F)cn1
InChIInChI=1S/C4H5FN2.2C2H6/c1-7-3-4(5)2-6-7;2*1-2/h2-3H,1H3;2*1-2H3
InChIKeyMNYITTJOVQTNKU-UHFFFAOYSA-N
XLogP2.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methyl-4-(trifluoromethyl)pyrazole
CID 145172818
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
1,4-dimethylpyrazole
CID 167636457
ethane;4-ethyl-1-methylpyrazole
CID 143829284
3-fluoro-5-(1-methylpyrazol-4-yl)phenol
CID 83130417
dideuterio-(1-methylpyrazol-4-yl)methanol
CID 170523002
trimethyl-(1-methylpyrazol-4-yl)silane
CID 13334047
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
(3-fluoro-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 79704305
N-[(1-fluorocyclopropyl)methyl]-1-methylpyrazol-4-amine
CID 130614621
S-(1-methylpyrazol-4-yl)thiohydroxylamine
CID 134606246
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-1-methylpyrazole?
The IUPAC name of ethane;4-fluoro-1-methylpyrazole (CID 177338163) is ethane;4-fluoro-1-methylpyrazole.
What is the SMILES notation for ethane;4-fluoro-1-methylpyrazole?
The canonical SMILES for ethane;4-fluoro-1-methylpyrazole is CC.CC.Cn1cc(F)cn1.
What is the InChIKey of ethane;4-fluoro-1-methylpyrazole?
The InChIKey is MNYITTJOVQTNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2.2C2H6/c1-7-3-4(5)2-6-7;2*1-2/h2-3H,1H3;2*1-2H3.
What are the key properties of ethane;4-fluoro-1-methylpyrazole?
ethane;4-fluoro-1-methylpyrazole has a molecular weight of 160.24 g/mol, XLogP of 2.61, 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-methylpyrazole is sourced from PubChem (CID 177338163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).