5-chloro-1,3,4-trimethylpyrazole;ethane

C8H15ClN2 — CID 143473362

IUPAC5-chloro-1,3,4-trimethylpyrazole;ethane
SMILESCC.Cc1nn(C)c(Cl)c1C
InChIInChI=1S/C6H9ClN2.C2H6/c1-4-5(2)8-9(3)6(4)7;1-2/h1-3H3;1-2H3
InChIKeyFAFRDPZLVKHEEA-UHFFFAOYSA-N
MW174.67 g/mol
LogP2.72
Rot. Bonds

About 5-chloro-1,3,4-trimethylpyrazole;ethane

5-chloro-1,3,4-trimethylpyrazole;ethane (PubChem CID 143473362) has the molecular formula C8H15ClN2 and a molecular weight of 174.67 g/mol. Its IUPAC name is 5-chloro-1,3,4-trimethylpyrazole;ethane.

Molecular Properties

Compound Name5-chloro-1,3,4-trimethylpyrazole;ethane
PubChem CID143473362
Molecular FormulaC8H15ClN2
Molecular Weight174.67 g/mol
Exact Mass174.09
IUPAC Name5-chloro-1,3,4-trimethylpyrazole;ethane
SMILESCC.Cc1nn(C)c(Cl)c1C
InChIInChI=1S/C6H9ClN2.C2H6/c1-4-5(2)8-9(3)6(4)7;1-2/h1-3H3;1-2H3
InChIKeyFAFRDPZLVKHEEA-UHFFFAOYSA-N
XLogP2.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-chloro-1,3-dimethyl-1H-pyrazole
CID 19744223
5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 1474983
5-chloro-4-(chloromethyl)-1,3-dimethyl-1H-pyrazole
CID 16227689
5-chloro-4-(chloromethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 43156578
1H-Pyrazole, 5-chloro-4-ethynyl-1,3-dimethyl-
CID 12298386
4-(2-chloroethyl)-1,3,5-trimethyl-1H-pyrazole
CID 23005969
2-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)acetonitrile
CID 75480775
[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine dihydrochloride
CID 86811812
4-(chloromethyl)-5-fluoro-1,3-dimethyl-1H-pyrazole hydrochloride
CID 126965018
1-[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanamine hydrochloride
CID 165895856
1-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methanamine dihydrochloride
CID 165994413
5-chloro-1,3,4-trimethyl-1H-pyrazole
CID 21766262

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3,4-trimethylpyrazole;ethane?
The IUPAC name of 5-chloro-1,3,4-trimethylpyrazole;ethane (CID 143473362) is 5-chloro-1,3,4-trimethylpyrazole;ethane.
What is the SMILES notation for 5-chloro-1,3,4-trimethylpyrazole;ethane?
The canonical SMILES for 5-chloro-1,3,4-trimethylpyrazole;ethane is CC.Cc1nn(C)c(Cl)c1C.
What is the InChIKey of 5-chloro-1,3,4-trimethylpyrazole;ethane?
The InChIKey is FAFRDPZLVKHEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2.C2H6/c1-4-5(2)8-9(3)6(4)7;1-2/h1-3H3;1-2H3.
What are the key properties of 5-chloro-1,3,4-trimethylpyrazole;ethane?
5-chloro-1,3,4-trimethylpyrazole;ethane has a molecular weight of 174.67 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3,4-trimethylpyrazole;ethane is sourced from PubChem (CID 143473362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).