1,4-diethylpyrazole;ethane

C9H18N2 — CID 143641951

IUPAC1,4-diethylpyrazole;ethane
SMILESCC.CCc1cnn(CC)c1
InChIInChI=1S/C7H12N2.C2H6/c1-3-7-5-8-9(4-2)6-7;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyBXLUGHAQIHCQIJ-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.49
Rot. Bonds2

About 1,4-diethylpyrazole;ethane

1,4-diethylpyrazole;ethane (PubChem CID 143641951) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1,4-diethylpyrazole;ethane.

Molecular Properties

Compound Name1,4-diethylpyrazole;ethane
PubChem CID143641951
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1,4-diethylpyrazole;ethane
SMILESCC.CCc1cnn(CC)c1
InChIInChI=1S/C7H12N2.C2H6/c1-3-7-5-8-9(4-2)6-7;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyBXLUGHAQIHCQIJ-UHFFFAOYSA-N
XLogP2.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
ethane;4-ethyl-1-methylpyrazole
CID 143829284
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
CID 62730205
2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile
CID 55211862
1-ethyl-4-(oxiran-2-ylmethyl)pyrazole
CID 115410523
1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-ol
CID 116799436
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
3-(1-ethylpyrazol-4-yl)propanenitrile
CID 62128053
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol
CID 62128242
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylpyrazole;ethane?
The IUPAC name of 1,4-diethylpyrazole;ethane (CID 143641951) is 1,4-diethylpyrazole;ethane.
What is the SMILES notation for 1,4-diethylpyrazole;ethane?
The canonical SMILES for 1,4-diethylpyrazole;ethane is CC.CCc1cnn(CC)c1.
What is the InChIKey of 1,4-diethylpyrazole;ethane?
The InChIKey is BXLUGHAQIHCQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-3-7-5-8-9(4-2)6-7;1-2/h5-6H,3-4H2,1-2H3;1-2H3.
What are the key properties of 1,4-diethylpyrazole;ethane?
1,4-diethylpyrazole;ethane has a molecular weight of 154.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylpyrazole;ethane is sourced from PubChem (CID 143641951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).