1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol

C15H26N2O3 — CID 115837343

IUPAC1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol
SMILESCOc1cnn(C(C)C)c1C(O)CCC1CCCCO1
InChIInChI=1S/C15H26N2O3/c1-11(2)17-15(14(19-3)10-16-17)13(18)8-7-12-6-4-5-9-20-12/h10-13,18H,4-9H2,1-3H3
InChIKeyNKSBEQLNANLHMD-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.86
Rot. Bonds6

About 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol (PubChem CID 115837343) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol
PubChem CID115837343
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol
SMILESCOc1cnn(C(C)C)c1C(O)CCC1CCCCO1
InChIInChI=1S/C15H26N2O3/c1-11(2)17-15(14(19-3)10-16-17)13(18)8-7-12-6-4-5-9-20-12/h10-13,18H,4-9H2,1-3H3
InChIKeyNKSBEQLNANLHMD-UHFFFAOYSA-N
XLogP2.86
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-2-yl)ethanamine
CID 114646684
[1-(4-methoxy-1-propylpyrazol-5-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 105339773
2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 115837387
1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 105066320
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol
CID 115821691
1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115836748
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114635721
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol
CID 114642899
3-(oxan-2-yl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 114981610
1-(4-methoxy-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanamine
CID 114660442
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methyloxan-2-yl)methanol
CID 114645058
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol?
The IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol (CID 115837343) is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol?
The canonical SMILES for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol is COc1cnn(C(C)C)c1C(O)CCC1CCCCO1.
What is the InChIKey of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol?
The InChIKey is NKSBEQLNANLHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(2)17-15(14(19-3)10-16-17)13(18)8-7-12-6-4-5-9-20-12/h10-13,18H,4-9H2,1-3H3.
What are the key properties of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol?
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol is sourced from PubChem (CID 115837343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).