1-ethylpyrazole;propane

C8H16N2 — CID 142296683

IUPAC1-ethylpyrazole;propane
SMILESCCC.CCn1cccn1
InChIInChI=1S/C5H8N2.C3H8/c1-2-7-5-3-4-6-7;1-3-2/h3-5H,2H2,1H3;3H2,1-2H3
InChIKeyWNKXEUYKLSUMAT-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.32
Rot. Bonds1

About 1-ethylpyrazole;propane

1-ethylpyrazole;propane (PubChem CID 142296683) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-ethylpyrazole;propane.

Molecular Properties

Compound Name1-ethylpyrazole;propane
PubChem CID142296683
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-ethylpyrazole;propane
SMILESCCC.CCn1cccn1
InChIInChI=1S/C5H8N2.C3H8/c1-2-7-5-3-4-6-7;1-3-2/h3-5H,2H2,1H3;3H2,1-2H3
InChIKeyWNKXEUYKLSUMAT-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-pentylpyrazole;propane
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1-[dideuterio(pyrazol-1-yl)methyl]pyrazole
CID 131845717
1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545
1-[(pyrazol-1-ylmethyldisulfanyl)methyl]pyrazole
CID 87477588
1-[(E)-but-2-enyl]pyrazole
CID 12591946
1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 91461332
ethane;1-pyrazol-1-ylpropan-2-one
CID 143096298
2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine
CID 5255415
1-[[1,3,4,5,6,7,8-heptakis(pyrazol-1-ylmethyl)biphenylen-2-yl]methyl]pyrazole
CID 139060151
N-methyl-N-(pyrazol-1-ylmethyl)propan-1-amine
CID 129074429
3-methyl-1-pyrazol-1-ylbutane-2-thiol
CID 165469811

Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrazole;propane?
The IUPAC name of 1-ethylpyrazole;propane (CID 142296683) is 1-ethylpyrazole;propane.
What is the SMILES notation for 1-ethylpyrazole;propane?
The canonical SMILES for 1-ethylpyrazole;propane is CCC.CCn1cccn1.
What is the InChIKey of 1-ethylpyrazole;propane?
The InChIKey is WNKXEUYKLSUMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C3H8/c1-2-7-5-3-4-6-7;1-3-2/h3-5H,2H2,1H3;3H2,1-2H3.
What are the key properties of 1-ethylpyrazole;propane?
1-ethylpyrazole;propane has a molecular weight of 140.23 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrazole;propane is sourced from PubChem (CID 142296683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).