1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

C17H18N2O2S — CID 75432701

IUPAC1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1cccs1)Cn1ccc(-c2ccccc2)n1
InChIInChI=1S/C17H18N2O2S/c20-15(12-21-13-16-7-4-10-22-16)11-19-9-8-17(18-19)14-5-2-1-3-6-14/h1-10,15,20H,11-13H2
InChIKeyNSSZFFQPULEYJN-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.19
Rot. Bonds7

About 1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 75432701) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID75432701
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1cccs1)Cn1ccc(-c2ccccc2)n1
InChIInChI=1S/C17H18N2O2S/c20-15(12-21-13-16-7-4-10-22-16)11-19-9-8-17(18-19)14-5-2-1-3-6-14/h1-10,15,20H,11-13H2
InChIKeyNSSZFFQPULEYJN-UHFFFAOYSA-N
XLogP3.19
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 86815395
(2S)-1-(4-pyrrol-1-ylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 97243262
1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol
CID 141127298
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
(2S)-1-[5-(4-methylphenyl)tetrazol-2-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 32532141
(2R)-1-morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2359827
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75432639
1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109411242
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
1-[2-(benzylamino)benzimidazol-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 78782747
1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 111107422
(2S)-1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 94813173

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 75432701) is 1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is OC(COCc1cccs1)Cn1ccc(-c2ccccc2)n1.
What is the InChIKey of 1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is NSSZFFQPULEYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-15(12-21-13-16-7-4-10-22-16)11-19-9-8-17(18-19)14-5-2-1-3-6-14/h1-10,15,20H,11-13H2.
What are the key properties of 1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 314.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 75432701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).