(2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

C12H15ClN2O2S — CID 97243258

IUPAC(2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCc1c(Cl)cnn1C[C@H](O)COCc1cccs1
InChIInChI=1S/C12H15ClN2O2S/c1-9-12(13)5-14-15(9)6-10(16)7-17-8-11-3-2-4-18-11/h2-5,10,16H,6-8H2,1H3/t10-/m0/s1
InChIKeyQVPIQBFSVABPDF-JTQLQIEISA-N
MW286.78 g/mol
LogP2.48
Rot. Bonds6

About (2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol

(2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 97243258) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is (2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID97243258
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name(2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCc1c(Cl)cnn1C[C@H](O)COCc1cccs1
InChIInChI=1S/C12H15ClN2O2S/c1-9-12(13)5-14-15(9)6-10(16)7-17-8-11-3-2-4-18-11/h2-5,10,16H,6-8H2,1H3/t10-/m0/s1
InChIKeyQVPIQBFSVABPDF-JTQLQIEISA-N
XLogP2.48
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75432639
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
(2S)-1-(4-pyrrol-1-ylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 97243262
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
1-(4-chloro-5-methylpyrazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 109411962
(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
(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 26007241
1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109411242
1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 86815395
1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109412716
3-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 71899170

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 97243258) is (2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is Cc1c(Cl)cnn1C[C@H](O)COCc1cccs1.
What is the InChIKey of (2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is QVPIQBFSVABPDF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-9-12(13)5-14-15(9)6-10(16)7-17-8-11-3-2-4-18-11/h2-5,10,16H,6-8H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol?
(2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 286.78 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 97243258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).