ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol

C11H22N2O — CID 177014001

IUPACethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol
SMILESCC.CCc1ccn(CC(C)(C)O)n1
InChIInChI=1S/C9H16N2O.C2H6/c1-4-8-5-6-11(10-8)7-9(2,3)12;1-2/h5-6,12H,4,7H2,1-3H3;1-2H3
InChIKeyASGCVVHAKFZXNL-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.24
Rot. Bonds3

About ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol

ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol (PubChem CID 177014001) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Nameethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol
PubChem CID177014001
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Nameethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol
SMILESCC.CCc1ccn(CC(C)(C)O)n1
InChIInChI=1S/C9H16N2O.C2H6/c1-4-8-5-6-11(10-8)7-9(2,3)12;1-2/h5-6,12H,4,7H2,1-3H3;1-2H3
InChIKeyASGCVVHAKFZXNL-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol?
The IUPAC name of ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol (CID 177014001) is ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol.
What is the SMILES notation for ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol?
The canonical SMILES for ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol is CC.CCc1ccn(CC(C)(C)O)n1.
What is the InChIKey of ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol?
The InChIKey is ASGCVVHAKFZXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C2H6/c1-4-8-5-6-11(10-8)7-9(2,3)12;1-2/h5-6,12H,4,7H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol?
ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-ethylpyrazol-1-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 177014001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).