1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

C16H18N2O2 — CID 103006706

IUPAC1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCc1oc2ccccc2c1C(O)CCc1ccnn1C
InChIInChI=1S/C16H18N2O2/c1-11-16(13-5-3-4-6-15(13)20-11)14(19)8-7-12-9-10-17-18(12)2/h3-6,9-10,14,19H,7-8H2,1-2H3
InChIKeyDJTJOYQLXJLEPW-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.14
Rot. Bonds4

About 1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (PubChem CID 103006706) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
PubChem CID103006706
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCc1oc2ccccc2c1C(O)CCc1ccnn1C
InChIInChI=1S/C16H18N2O2/c1-11-16(13-5-3-4-6-15(13)20-11)14(19)8-7-12-9-10-17-18(12)2/h3-6,9-10,14,19H,7-8H2,1-2H3
InChIKeyDJTJOYQLXJLEPW-UHFFFAOYSA-N
XLogP3.14
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(2-methylpyrazol-3-yl)-1-(3-methyl-2-pyridinyl)propan-1-ol
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1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103005996
1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 114033904
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol
CID 103027965
1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-ol
CID 103006232
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008517

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (CID 103006706) is 1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is Cc1oc2ccccc2c1C(O)CCc1ccnn1C.
What is the InChIKey of 1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is DJTJOYQLXJLEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-16(13-5-3-4-6-15(13)20-11)14(19)8-7-12-9-10-17-18(12)2/h3-6,9-10,14,19H,7-8H2,1-2H3.
What are the key properties of 1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 270.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-benzofuran-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 103006706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).