3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol

C13H22N2O3 — CID 107942647

IUPAC3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1cnn(C(C)C)c1
InChIInChI=1S/C13H22N2O3/c1-4-5-17-13-11(16)6-12(13)18-10-7-14-15(8-10)9(2)3/h7-9,11-13,16H,4-6H2,1-3H3
InChIKeyJHBZAJQRGNPPOU-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.77
Rot. Bonds6

About 3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol

3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol (PubChem CID 107942647) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol
PubChem CID107942647
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1cnn(C(C)C)c1
InChIInChI=1S/C13H22N2O3/c1-4-5-17-13-11(16)6-12(13)18-10-7-14-15(8-10)9(2)3/h7-9,11-13,16H,4-6H2,1-3H3
InChIKeyJHBZAJQRGNPPOU-UHFFFAOYSA-N
XLogP1.77
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol
CID 114018846
4-(3-bromo-2-propoxycyclobutyl)oxy-1-propylpyrazole
CID 114018958
3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol
CID 107942618
N-ethyl-3-(1-ethylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-amine
CID 107943876
1-propan-2-yl-4-[(3R)-pyrrolidin-3-yl]oxypyrazole
CID 104939867
1-propan-2-yl-4-[(3S)-pyrrolidin-3-yl]oxypyrazole
CID 104939868
(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-3-propoxypiperidine
CID 99962027
4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
(1-propan-2-ylpyrazol-4-yl) N-propylcarbamate
CID 13101187
N,N-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116805301
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol
CID 107942525

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol?
The IUPAC name of 3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol (CID 107942647) is 3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol.
What is the SMILES notation for 3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol?
The canonical SMILES for 3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol is CCCOC1C(O)CC1Oc1cnn(C(C)C)c1.
What is the InChIKey of 3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol?
The InChIKey is JHBZAJQRGNPPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-4-5-17-13-11(16)6-12(13)18-10-7-14-15(8-10)9(2)3/h7-9,11-13,16H,4-6H2,1-3H3.
What are the key properties of 3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol?
3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol is sourced from PubChem (CID 107942647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).