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

C16H22N2O3 — CID 114642899

IUPAC1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol
SMILESCOc1cnn(C(C)C)c1C(O)CCOc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-12(2)18-16(15(20-3)11-17-18)14(19)9-10-21-13-7-5-4-6-8-13/h4-8,11-12,14,19H,9-10H2,1-3H3
InChIKeySMTLYIFOVQEFEX-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.98
Rot. Bonds7

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

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol (PubChem CID 114642899) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol
PubChem CID114642899
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol
SMILESCOc1cnn(C(C)C)c1C(O)CCOc1ccccc1
InChIInChI=1S/C16H22N2O3/c1-12(2)18-16(15(20-3)11-17-18)14(19)9-10-21-13-7-5-4-6-8-13/h4-8,11-12,14,19H,9-10H2,1-3H3
InChIKeySMTLYIFOVQEFEX-UHFFFAOYSA-N
XLogP2.98
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol
CID 114642980
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one
CID 114638776
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114635721
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol
CID 114643133
(4-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634045
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethanol
CID 114644262
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol
CID 115837343
(2,6-dichlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634463
2-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-ol
CID 114645769
(3-ethoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114646162
1-(4-chloro-3-methoxyphenyl)-3-phenoxypropan-1-ol
CID 79698805
(4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114643994

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol?
The IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol (CID 114642899) is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol.
What is the SMILES notation for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol?
The canonical SMILES for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol is COc1cnn(C(C)C)c1C(O)CCOc1ccccc1.
What is the InChIKey of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol?
The InChIKey is SMTLYIFOVQEFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(2)18-16(15(20-3)11-17-18)14(19)9-10-21-13-7-5-4-6-8-13/h4-8,11-12,14,19H,9-10H2,1-3H3.
What are the key properties of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol?
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol has a molecular weight of 290.36 g/mol, XLogP of 2.98, 7 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-phenoxypropan-1-ol is sourced from PubChem (CID 114642899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).