1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol

C15H20N2O2 — CID 114635516

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol
SMILESCOc1cnn(C)c1C(O)CC(C)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(12-7-5-4-6-8-12)9-13(18)15-14(19-3)10-16-17(15)2/h4-8,10-11,13,18H,9H2,1-3H3
InChIKeyBRZXHUNTVVVAEY-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.66
Rot. Bonds5

About 1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol

1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol (PubChem CID 114635516) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol
PubChem CID114635516
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol
SMILESCOc1cnn(C)c1C(O)CC(C)c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(12-7-5-4-6-8-12)9-13(18)15-14(19-3)10-16-17(15)2/h4-8,10-11,13,18H,9H2,1-3H3
InChIKeyBRZXHUNTVVVAEY-UHFFFAOYSA-N
XLogP2.66
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol
CID 114643133
1-(4-methoxy-1-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129939
1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol
CID 105129959
1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol
CID 105130023
1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129886
(4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclopropyl)methanol
CID 114643567
1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylbutan-1-amine
CID 105047114
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
CID 103027713
[1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethyl]hydrazine
CID 105195307
(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634561
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol
CID 114665828

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol (CID 114635516) is 1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol is COc1cnn(C)c1C(O)CC(C)c1ccccc1.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol?
The InChIKey is BRZXHUNTVVVAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(12-7-5-4-6-8-12)9-13(18)15-14(19-3)10-16-17(15)2/h4-8,10-11,13,18H,9H2,1-3H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol?
1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol is sourced from PubChem (CID 114635516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).