ethane;4-ethyl-1-methylpyrazole

C10H22N2 — CID 143829284

IUPACethane;4-ethyl-1-methylpyrazole
SMILESCC.CC.CCc1cnn(C)c1
InChIInChI=1S/C6H10N2.2C2H6/c1-3-6-4-7-8(2)5-6;2*1-2/h4-5H,3H2,1-2H3;2*1-2H3
InChIKeyCPRAHBTYMCZIKS-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.03
Rot. Bonds1

About ethane;4-ethyl-1-methylpyrazole

ethane;4-ethyl-1-methylpyrazole (PubChem CID 143829284) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;4-ethyl-1-methylpyrazole.

Molecular Properties

Compound Nameethane;4-ethyl-1-methylpyrazole
PubChem CID143829284
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameethane;4-ethyl-1-methylpyrazole
SMILESCC.CC.CCc1cnn(C)c1
InChIInChI=1S/C6H10N2.2C2H6/c1-3-6-4-7-8(2)5-6;2*1-2/h4-5H,3H2,1-2H3;2*1-2H3
InChIKeyCPRAHBTYMCZIKS-UHFFFAOYSA-N
XLogP3.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-propylpyrazole;propane
CID 155742221
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
1-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 104554967
dideuterio-(1-methylpyrazol-4-yl)methanol
CID 170523002
1,4-diethylpyrazole;ethane
CID 143641951
N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine
CID 62127234
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
N'-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62126875
4-[2-(bromomethyl)-2-methylbutyl]-1-methylpyrazole
CID 66050049
O-[(1-methylpyrazol-4-yl)methyl]hydroxylamine
CID 79423032
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1-methylpyrazole?
The IUPAC name of ethane;4-ethyl-1-methylpyrazole (CID 143829284) is ethane;4-ethyl-1-methylpyrazole.
What is the SMILES notation for ethane;4-ethyl-1-methylpyrazole?
The canonical SMILES for ethane;4-ethyl-1-methylpyrazole is CC.CC.CCc1cnn(C)c1.
What is the InChIKey of ethane;4-ethyl-1-methylpyrazole?
The InChIKey is CPRAHBTYMCZIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.2C2H6/c1-3-6-4-7-8(2)5-6;2*1-2/h4-5H,3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;4-ethyl-1-methylpyrazole?
ethane;4-ethyl-1-methylpyrazole has a molecular weight of 170.30 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1-methylpyrazole is sourced from PubChem (CID 143829284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).