3-cyclohexyl-5-methyl-1H-pyrazole;ethane

C14H28N2 — CID 144662747

IUPAC3-cyclohexyl-5-methyl-1H-pyrazole;ethane
SMILESCC.CC.Cc1cc(C2CCCCC2)n[nH]1
InChIInChI=1S/C10H16N2.2C2H6/c1-8-7-10(12-11-8)9-5-3-2-4-6-9;2*1-2/h7,9H,2-6H2,1H3,(H,11,12);2*1-2H3
InChIKeyYLJCMEIGKHPFMX-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.82
Rot. Bonds1

About 3-cyclohexyl-5-methyl-1H-pyrazole;ethane

3-cyclohexyl-5-methyl-1H-pyrazole;ethane (PubChem CID 144662747) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-cyclohexyl-5-methyl-1H-pyrazole;ethane.

Molecular Properties

Compound Name3-cyclohexyl-5-methyl-1H-pyrazole;ethane
PubChem CID144662747
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-cyclohexyl-5-methyl-1H-pyrazole;ethane
SMILESCC.CC.Cc1cc(C2CCCCC2)n[nH]1
InChIInChI=1S/C10H16N2.2C2H6/c1-8-7-10(12-11-8)9-5-3-2-4-6-9;2*1-2/h7,9H,2-6H2,1H3,(H,11,12);2*1-2H3
InChIKeyYLJCMEIGKHPFMX-UHFFFAOYSA-N
XLogP4.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-methyl-1H-pyrazole;ethane?
The IUPAC name of 3-cyclohexyl-5-methyl-1H-pyrazole;ethane (CID 144662747) is 3-cyclohexyl-5-methyl-1H-pyrazole;ethane.
What is the SMILES notation for 3-cyclohexyl-5-methyl-1H-pyrazole;ethane?
The canonical SMILES for 3-cyclohexyl-5-methyl-1H-pyrazole;ethane is CC.CC.Cc1cc(C2CCCCC2)n[nH]1.
What is the InChIKey of 3-cyclohexyl-5-methyl-1H-pyrazole;ethane?
The InChIKey is YLJCMEIGKHPFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.2C2H6/c1-8-7-10(12-11-8)9-5-3-2-4-6-9;2*1-2/h7,9H,2-6H2,1H3,(H,11,12);2*1-2H3.
What are the key properties of 3-cyclohexyl-5-methyl-1H-pyrazole;ethane?
3-cyclohexyl-5-methyl-1H-pyrazole;ethane has a molecular weight of 224.39 g/mol, XLogP of 4.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-methyl-1H-pyrazole;ethane is sourced from PubChem (CID 144662747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).