ethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole

C13H24N4 — CID 170573695

IUPACethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole
SMILESCC.CCc1cn(C)nc1C.Cn1cccn1
InChIInChI=1S/C7H12N2.C4H6N2.C2H6/c1-4-7-5-9(3)8-6(7)2;1-6-4-2-3-5-6;1-2/h5H,4H2,1-3H3;2-4H,1H3;1-2H3
InChIKeyXSRXYYBSSNFLJT-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.74
Rot. Bonds1

About ethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole

ethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole (PubChem CID 170573695) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is ethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole.

Molecular Properties

Compound Nameethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole
PubChem CID170573695
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Nameethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole
SMILESCC.CCc1cn(C)nc1C.Cn1cccn1
InChIInChI=1S/C7H12N2.C4H6N2.C2H6/c1-4-7-5-9(3)8-6(7)2;1-6-4-2-3-5-6;1-2/h5H,4H2,1-3H3;2-4H,1H3;1-2H3
InChIKeyXSRXYYBSSNFLJT-UHFFFAOYSA-N
XLogP2.74
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole?
The IUPAC name of ethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole (CID 170573695) is ethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole.
What is the SMILES notation for ethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole?
The canonical SMILES for ethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole is CC.CCc1cn(C)nc1C.Cn1cccn1.
What is the InChIKey of ethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole?
The InChIKey is XSRXYYBSSNFLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C4H6N2.C2H6/c1-4-7-5-9(3)8-6(7)2;1-6-4-2-3-5-6;1-2/h5H,4H2,1-3H3;2-4H,1H3;1-2H3.
What are the key properties of ethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole?
ethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole has a molecular weight of 236.36 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole is sourced from PubChem (CID 170573695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).