1-butan-2-ylpyrazole;ethane

C9H18N2 — CID 170732307

IUPAC1-butan-2-ylpyrazole;ethane
SMILESCC.CCC(C)n1cccn1
InChIInChI=1S/C7H12N2.C2H6/c1-3-7(2)9-6-4-5-8-9;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeyLSNQEOYZEXUATJ-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.88
Rot. Bonds2

About 1-butan-2-ylpyrazole;ethane

1-butan-2-ylpyrazole;ethane (PubChem CID 170732307) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-butan-2-ylpyrazole;ethane.

Molecular Properties

Compound Name1-butan-2-ylpyrazole;ethane
PubChem CID170732307
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-butan-2-ylpyrazole;ethane
SMILESCC.CCC(C)n1cccn1
InChIInChI=1S/C7H12N2.C2H6/c1-3-7(2)9-6-4-5-8-9;1-2/h4-7H,3H2,1-2H3;1-2H3
InChIKeyLSNQEOYZEXUATJ-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-nonan-2-ylpyrazole
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ethane;2-methylpropane;1-propan-2-ylpyrazole
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N-ethyl-3-pyrazol-1-ylbutan-1-amine
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4-pyrazol-1-ylpentan-2-one
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2-methylpropane;1-propan-2-ylpyrazole
CID 159283951
N,N-dimethyl-1-pyrazol-1-ylpropan-1-amine
CID 173051890
1-(3-methylbutan-2-yl)pyrazole
CID 59320460
1-hex-5-yn-3-ylpyrazole
CID 141189271
1-heptan-3-ylpyrazole
CID 121348512
1-(diethoxymethyl)pyrazole
CID 91618471
1-[di(pyrazol-1-yl)methyl]pyrazole
CID 5243808

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylpyrazole;ethane?
The IUPAC name of 1-butan-2-ylpyrazole;ethane (CID 170732307) is 1-butan-2-ylpyrazole;ethane.
What is the SMILES notation for 1-butan-2-ylpyrazole;ethane?
The canonical SMILES for 1-butan-2-ylpyrazole;ethane is CC.CCC(C)n1cccn1.
What is the InChIKey of 1-butan-2-ylpyrazole;ethane?
The InChIKey is LSNQEOYZEXUATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-3-7(2)9-6-4-5-8-9;1-2/h4-7H,3H2,1-2H3;1-2H3.
What are the key properties of 1-butan-2-ylpyrazole;ethane?
1-butan-2-ylpyrazole;ethane has a molecular weight of 154.26 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylpyrazole;ethane is sourced from PubChem (CID 170732307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).