1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol

C14H19N3O2 — CID 114642980

IUPAC1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol
SMILESCOc1cnn(C(C)C)c1C(O)Cc1ccccn1
InChIInChI=1S/C14H19N3O2/c1-10(2)17-14(13(19-3)9-16-17)12(18)8-11-6-4-5-7-15-11/h4-7,9-10,12,18H,8H2,1-3H3
InChIKeyNSWWXAOOJTZTJI-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.14
Rot. Bonds5

About 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol (PubChem CID 114642980) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol.

Molecular Properties

Compound Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol
PubChem CID114642980
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol
SMILESCOc1cnn(C(C)C)c1C(O)Cc1ccccn1
InChIInChI=1S/C14H19N3O2/c1-10(2)17-14(13(19-3)9-16-17)12(18)8-11-6-4-5-7-15-11/h4-7,9-10,12,18H,8H2,1-3H3
InChIKeyNSWWXAOOJTZTJI-UHFFFAOYSA-N
XLogP2.14
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol
CID 114642899
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114635721
1-(2-chloro-6-methoxyphenyl)-2-pyridin-2-ylethanol
CID 113456442
1-(2-methoxy-4,6-dimethylphenyl)-2-pyridin-2-ylethanol
CID 106680148
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethanol
CID 114644262
(4-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634045
1-(3-methoxypyrazin-2-yl)-2-pyridin-2-ylethanol
CID 104515074
(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
1-(4-chloro-1-propylpyrazol-5-yl)-2-pyridin-2-ylethanol
CID 114642988
2-ethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114645742
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol
CID 115837343

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol?
The IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol (CID 114642980) is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol.
What is the SMILES notation for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol?
The canonical SMILES for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol is COc1cnn(C(C)C)c1C(O)Cc1ccccn1.
What is the InChIKey of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol?
The InChIKey is NSWWXAOOJTZTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)17-14(13(19-3)9-16-17)12(18)8-11-6-4-5-7-15-11/h4-7,9-10,12,18H,8H2,1-3H3.
What are the key properties of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol?
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-pyridin-2-ylethanol has a molecular weight of 261.32 g/mol, XLogP of 2.14, 5 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)-2-pyridin-2-ylethanol is sourced from PubChem (CID 114642980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).