3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol

C15H19ClN2O2 — CID 114665024

IUPAC3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol
SMILESCOCCn1ncc(Cl)c1CCC(O)c1ccccc1
InChIInChI=1S/C15H19ClN2O2/c1-20-10-9-18-14(13(16)11-17-18)7-8-15(19)12-5-3-2-4-6-12/h2-6,11,15,19H,7-10H2,1H3
InChIKeyGZYFEVJZIFONNQ-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.85
Rot. Bonds7

About 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol

3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol (PubChem CID 114665024) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol
PubChem CID114665024
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol
SMILESCOCCn1ncc(Cl)c1CCC(O)c1ccccc1
InChIInChI=1S/C15H19ClN2O2/c1-20-10-9-18-14(13(16)11-17-18)7-8-15(19)12-5-3-2-4-6-12/h2-6,11,15,19H,7-10H2,1H3
InChIKeyGZYFEVJZIFONNQ-UHFFFAOYSA-N
XLogP2.85
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methyl-1-phenylpropan-1-amine
CID 114664422
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanol
CID 114662418
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(4-methylphenyl)propan-1-ol
CID 105132635
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-pyridin-4-ylpropan-1-ol
CID 105132599
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methoxyethoxy)propan-1-ol
CID 102927629
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-4-methylpentan-3-amine
CID 114664314
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-methoxypentan-1-ol
CID 105132601
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-phenylpropyl]hydrazine
CID 105205637
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
CID 114634869
3-(4-chloro-1-propylpyrazol-5-yl)-N-ethyl-1-phenylpropan-1-amine
CID 114664429
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-ol
CID 105128554
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethanol
CID 114644981

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol?
The IUPAC name of 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol (CID 114665024) is 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol is COCCn1ncc(Cl)c1CCC(O)c1ccccc1.
What is the InChIKey of 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol?
The InChIKey is GZYFEVJZIFONNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-20-10-9-18-14(13(16)11-17-18)7-8-15(19)12-5-3-2-4-6-12/h2-6,11,15,19H,7-10H2,1H3.
What are the key properties of 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol?
3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol has a molecular weight of 294.78 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 114665024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).