ethane;5-ethyl-2-(2-methylpropyl)-1,5-dihydropyrazole

C11H24N2 — CID 177032785

IUPACethane;5-ethyl-2-(2-methylpropyl)-1,5-dihydropyrazole
SMILESCC.CCC1C=CN(CC(C)C)N1
InChIInChI=1S/C9H18N2.C2H6/c1-4-9-5-6-11(10-9)7-8(2)3;1-2/h5-6,8-10H,4,7H2,1-3H3;1-2H3
InChIKeyRYYROSNMIQMAKH-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.78
Rot. Bonds3

About ethane;5-ethyl-2-(2-methylpropyl)-1,5-dihydropyrazole

ethane;5-ethyl-2-(2-methylpropyl)-1,5-dihydropyrazole (PubChem CID 177032785) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is ethane;5-ethyl-2-(2-methylpropyl)-1,5-dihydropyrazole.

Molecular Properties

Compound Nameethane;5-ethyl-2-(2-methylpropyl)-1,5-dihydropyrazole
PubChem CID177032785
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Nameethane;5-ethyl-2-(2-methylpropyl)-1,5-dihydropyrazole
SMILESCC.CCC1C=CN(CC(C)C)N1
InChIInChI=1S/C9H18N2.C2H6/c1-4-9-5-6-11(10-9)7-8(2)3;1-2/h5-6,8-10H,4,7H2,1-3H3;1-2H3
InChIKeyRYYROSNMIQMAKH-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

methyl-5-Isopropylpyrazolin
CID 129649373
[Fluoro-[2-(2-methylpropyl)-1,5-dihydropyrazol-5-yl]methyl]phosphane
CID 174315485
3-Methyl-1-vinyl-2,3-dihydro-1h-pyrazole
CID 129741426
2,5-Dimethyl-1,5-dihydropyrazole
CID 21900373
5-Ethyl-2-methyl-1,5-dihydropyrazole
CID 69932653
2,3-Dimethyl-1,3-dihydropyrazole
CID 70534479
(1E,3R)-2-methyl-1-[methyl(methylamino)amino]penta-1,4-dien-3-amine
CID 88268762
2-Methyl-5-propan-2-yl-1,5-dihydropyrazole
CID 123469879
2-methyl-1-[(2S)-3-methylbutan-2-yl]-1-[(Z)-prop-1-enyl]hydrazine
CID 130415008
3-Ethenyl-2-methyl-1,3-dihydropyrazole
CID 134315486
1-Methyl-1-(3-methylbut-1-en-2-yl)-2-propan-2-ylhydrazine
CID 134443672
3-propan-2-yl-2,3-dihydro-1H-pyrazole
CID 135141463

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-(2-methylpropyl)-1,5-dihydropyrazole?
The IUPAC name of ethane;5-ethyl-2-(2-methylpropyl)-1,5-dihydropyrazole (CID 177032785) is ethane;5-ethyl-2-(2-methylpropyl)-1,5-dihydropyrazole.
What is the SMILES notation for ethane;5-ethyl-2-(2-methylpropyl)-1,5-dihydropyrazole?
The canonical SMILES for ethane;5-ethyl-2-(2-methylpropyl)-1,5-dihydropyrazole is CC.CCC1C=CN(CC(C)C)N1.
What is the InChIKey of ethane;5-ethyl-2-(2-methylpropyl)-1,5-dihydropyrazole?
The InChIKey is RYYROSNMIQMAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.C2H6/c1-4-9-5-6-11(10-9)7-8(2)3;1-2/h5-6,8-10H,4,7H2,1-3H3;1-2H3.
What are the key properties of ethane;5-ethyl-2-(2-methylpropyl)-1,5-dihydropyrazole?
ethane;5-ethyl-2-(2-methylpropyl)-1,5-dihydropyrazole has a molecular weight of 184.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-(2-methylpropyl)-1,5-dihydropyrazole is sourced from PubChem (CID 177032785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).