ethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole

C11H24N2 — CID 170574391

IUPACethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole
SMILESCC.CCN1C=C(C(C)C)C(C)N1
InChIInChI=1S/C9H18N2.C2H6/c1-5-11-6-9(7(2)3)8(4)10-11;1-2/h6-8,10H,5H2,1-4H3;1-2H3
InChIKeyFULGIWMEELRXJQ-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.78
Rot. Bonds2

About ethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole

ethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole (PubChem CID 170574391) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is ethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole.

Molecular Properties

Compound Nameethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole
PubChem CID170574391
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nameethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole
SMILESCC.CCN1C=C(C(C)C)C(C)N1
InChIInChI=1S/C9H18N2.C2H6/c1-5-11-6-9(7(2)3)8(4)10-11;1-2/h6-8,10H,5H2,1-4H3;1-2H3
InChIKeyFULGIWMEELRXJQ-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole?
The IUPAC name of ethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole (CID 170574391) is ethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole.
What is the SMILES notation for ethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole?
The canonical SMILES for ethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole is CC.CCN1C=C(C(C)C)C(C)N1.
What is the InChIKey of ethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole?
The InChIKey is FULGIWMEELRXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C2H6/c1-5-11-6-9(7(2)3)8(4)10-11;1-2/h6-8,10H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole?
ethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole has a molecular weight of 184.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5-methyl-4-propan-2-yl-1,5-dihydropyrazole is sourced from PubChem (CID 170574391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).