ethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol

C11H22N2O — CID 144877694

IUPACethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol
SMILESCC.CC(C)CC(O)Cc1cn[nH]c1
InChIInChI=1S/C9H16N2O.C2H6/c1-7(2)3-9(12)4-8-5-10-11-6-8;1-2/h5-7,9,12H,3-4H2,1-2H3,(H,10,11);1-2H3
InChIKeyLGZQVXKWGXAYHN-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.39
Rot. Bonds4

About ethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol

ethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol (PubChem CID 144877694) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is ethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol.

Molecular Properties

Compound Nameethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol
PubChem CID144877694
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Nameethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol
SMILESCC.CC(C)CC(O)Cc1cn[nH]c1
InChIInChI=1S/C9H16N2O.C2H6/c1-7(2)3-9(12)4-8-5-10-11-6-8;1-2/h5-7,9,12H,3-4H2,1-2H3,(H,10,11);1-2H3
InChIKeyLGZQVXKWGXAYHN-UHFFFAOYSA-N
XLogP2.39
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol?
The IUPAC name of ethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol (CID 144877694) is ethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol.
What is the SMILES notation for ethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol?
The canonical SMILES for ethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol is CC.CC(C)CC(O)Cc1cn[nH]c1.
What is the InChIKey of ethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol?
The InChIKey is LGZQVXKWGXAYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C2H6/c1-7(2)3-9(12)4-8-5-10-11-6-8;1-2/h5-7,9,12H,3-4H2,1-2H3,(H,10,11);1-2H3.
What are the key properties of ethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol?
ethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(1H-pyrazol-4-yl)pentan-2-ol is sourced from PubChem (CID 144877694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).