2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol

C14H24N2O2 — CID 116710449

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol
SMILESCCC(C)n1ccc(CC(O)C2(OC)CCC2)n1
InChIInChI=1S/C14H24N2O2/c1-4-11(2)16-9-6-12(15-16)10-13(17)14(18-3)7-5-8-14/h6,9,11,13,17H,4-5,7-8,10H2,1-3H3
InChIKeyOGVJOKRLZJUYMO-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.33
Rot. Bonds6

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol

2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol (PubChem CID 116710449) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol
PubChem CID116710449
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol
SMILESCCC(C)n1ccc(CC(O)C2(OC)CCC2)n1
InChIInChI=1S/C14H24N2O2/c1-4-11(2)16-9-6-12(15-16)10-13(17)14(18-3)7-5-8-14/h6,9,11,13,17H,4-5,7-8,10H2,1-3H3
InChIKeyOGVJOKRLZJUYMO-UHFFFAOYSA-N
XLogP2.33
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448497
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452203
1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 104610403
N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116714664
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764841
1-(1-methoxycyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104610783
1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452043
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863680
1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772434
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol
CID 116659983
1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol
CID 65131163

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol (CID 116710449) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol is CCC(C)n1ccc(CC(O)C2(OC)CCC2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol?
The InChIKey is OGVJOKRLZJUYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-11(2)16-9-6-12(15-16)10-13(17)14(18-3)7-5-8-14/h6,9,11,13,17H,4-5,7-8,10H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol?
2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol has a molecular weight of 252.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol is sourced from PubChem (CID 116710449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).