1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol

C11H13BrN2OS — CID 103027898

IUPAC1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CCC(O)c2csc(Br)c2)cn1
InChIInChI=1S/C11H13BrN2OS/c1-14-6-8(5-13-14)2-3-10(15)9-4-11(12)16-7-9/h4-7,10,15H,2-3H2,1H3
InChIKeyLIFLDCYHQMMRTF-UHFFFAOYSA-N
MW301.21 g/mol
LogP2.91
Rot. Bonds4

About 1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol

1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 103027898) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID103027898
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CCC(O)c2csc(Br)c2)cn1
InChIInChI=1S/C11H13BrN2OS/c1-14-6-8(5-13-14)2-3-10(15)9-4-11(12)16-7-9/h4-7,10,15H,2-3H2,1H3
InChIKeyLIFLDCYHQMMRTF-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Chlorothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027765
3-(1-Methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-ol
CID 103027810
1-(5-Bromo-4-methylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027876
1-(3-Ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027918
(3-Fluorothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
CID 130594717
(1-Methylpyrazol-4-yl)-thiophen-3-ylmethanol
CID 61088589
[1-(Oxan-2-yl)pyrazol-4-yl]-thiophen-3-ylmethanol
CID 164783057
(1-Methylpyrazol-4-yl)-thiophen-2-ylmethanol
CID 61088586
(5-Bromothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
CID 61088765
(1-Methylpyrazol-4-yl)-(5-methylthiophen-2-yl)methanol
CID 61088767
(1-Methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanol
CID 61088768
(1-Ethylpyrazol-4-yl)-thiophen-2-ylmethanol
CID 61680376

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 103027898) is 1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol is Cn1cc(CCC(O)c2csc(Br)c2)cn1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is LIFLDCYHQMMRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-14-6-8(5-13-14)2-3-10(15)9-4-11(12)16-7-9/h4-7,10,15H,2-3H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 301.21 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 103027898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).