ethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol

C14H30N2O2 — CID 170573642

IUPACethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol
SMILESCC.CC.CCc1cn(CC(C)(C)O)nc1OC
InChIInChI=1S/C10H18N2O2.2C2H6/c1-5-8-6-12(7-10(2,3)13)11-9(8)14-4;2*1-2/h6,13H,5,7H2,1-4H3;2*1-2H3
InChIKeyIBSLBWMOQBNLKV-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.28
Rot. Bonds4

About ethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol

ethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol (PubChem CID 170573642) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is ethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Nameethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol
PubChem CID170573642
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nameethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol
SMILESCC.CC.CCc1cn(CC(C)(C)O)nc1OC
InChIInChI=1S/C10H18N2O2.2C2H6/c1-5-8-6-12(7-10(2,3)13)11-9(8)14-4;2*1-2/h6,13H,5,7H2,1-4H3;2*1-2H3
InChIKeyIBSLBWMOQBNLKV-UHFFFAOYSA-N
XLogP3.28
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethyl-3-methylpyrazol-1-yl)-2-methylpropan-2-ol
CID 144607417
1-(3,4-dimethylpyrazol-1-yl)-2-methylpropan-2-ol;ethane
CID 144607283
1-(2-hydroxy-2-methylpropyl)-3,5-dimethylpyridazin-4-one
CID 167082386
1-[3-(difluoromethyl)-4-iodopyrazol-1-yl]-2-methylpropan-2-ol
CID 170247527
1-tert-butyl-4-(4-ethyl-3-methoxypyrazol-1-yl)piperidine;N,2-dimethylpropan-2-amine;ethane
CID 144607351
2-methyl-1-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 169217856
1-(3-chloro-4-methylsulfanylpyrazol-1-yl)-2-methylpropan-2-ol
CID 170144726
1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane
CID 178006220
1-(4-bromotriazol-1-yl)-2-methylpropan-2-ol
CID 162341696
1-ethyl-3-methoxy-4-nitropyrazole
CID 163333241
methyl 1-(fluoromethyl)-3-methoxypyrazole-4-carboxylate
CID 150095703
ethane;2-(3-methoxy-4-propan-2-ylpyrazol-1-yl)ethanol
CID 170573597

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol?
The IUPAC name of ethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol (CID 170573642) is ethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for ethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for ethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol is CC.CC.CCc1cn(CC(C)(C)O)nc1OC.
What is the InChIKey of ethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol?
The InChIKey is IBSLBWMOQBNLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.2C2H6/c1-5-8-6-12(7-10(2,3)13)11-9(8)14-4;2*1-2/h6,13H,5,7H2,1-4H3;2*1-2H3.
What are the key properties of ethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol?
ethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol has a molecular weight of 258.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-ethyl-3-methoxypyrazol-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 170573642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).