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

C13H24N2O2 — CID 114635721

IUPAC1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
SMILESCOc1cnn(C(C)C)c1C(O)CC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-9(2)15-12(11(17-6)8-14-15)10(16)7-13(3,4)5/h8-10,16H,7H2,1-6H3
InChIKeyUJFPSHKNDPHEFB-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.94
Rot. Bonds4

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

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol (PubChem CID 114635721) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
PubChem CID114635721
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
SMILESCOc1cnn(C(C)C)c1C(O)CC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-9(2)15-12(11(17-6)8-14-15)10(16)7-13(3,4)5/h8-10,16H,7H2,1-6H3
InChIKeyUJFPSHKNDPHEFB-UHFFFAOYSA-N
XLogP2.94
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-ol
CID 114645769
2-ethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114645742
2-(4-chlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanol
CID 114642942
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol
CID 114642899
(4-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114643994
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol
CID 114642980
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
CID 103027713
(4-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634045
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol
CID 114637115
2-cyclopropyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-ol
CID 115837387
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine
CID 114657506
[1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105339522

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol?
The IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol (CID 114635721) is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol is COc1cnn(C(C)C)c1C(O)CC(C)(C)C.
What is the InChIKey of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol?
The InChIKey is UJFPSHKNDPHEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)15-12(11(17-6)8-14-15)10(16)7-13(3,4)5/h8-10,16H,7H2,1-6H3.
What are the key properties of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol?
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 114635721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).