[1-(4-bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol

C14H11BrN2OS — CID 145379490

IUPAC[1-(4-bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(Br)cc2)nc1-c1cccs1
InChIInChI=1S/C14H11BrN2OS/c15-11-3-5-12(6-4-11)17-8-10(9-18)14(16-17)13-2-1-7-19-13/h1-8,18H,9H2
InChIKeyADYVTLSYACIXAI-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.86
Rot. Bonds3

About [1-(4-bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol

[1-(4-bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol (PubChem CID 145379490) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is [1-(4-bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol
PubChem CID145379490
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC Name[1-(4-bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccc(Br)cc2)nc1-c1cccs1
InChIInChI=1S/C14H11BrN2OS/c15-11-3-5-12(6-4-11)17-8-10(9-18)14(16-17)13-2-1-7-19-13/h1-8,18H,9H2
InChIKeyADYVTLSYACIXAI-UHFFFAOYSA-N
XLogP3.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol
CID 740214
3-(4-Bromothiophen-2-yl)-1-(2-fluorophenyl)pyrazole-4-carboxylic acid
CID 107354900
3-(4-Bromothiophen-2-yl)-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
CID 107354901
3-(4-Bromothiophen-2-yl)-1-(3-fluorophenyl)pyrazole-4-carboxylic acid
CID 107354920
(1-(2-fluoroethyl)-3-(thiophen-2-yl)-1H-pyrazol-4-yl)methanol
CID 121213356
[1-(4-Bromophenyl)-3-phenylpyrazol-4-yl]methanol
CID 20542781
1-(4-Bromophenyl)-4-ethenyl-3-thiophen-2-ylpyrazole
CID 132000451
[3-(5-Chlorothiophen-2-yl)-1-phenylpyrazol-4-yl]methanol
CID 164073771
(1-Benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol
CID 25479420
(1-methyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)methanol
CID 39095884
(1-Tert-butyl-3-thiophen-2-ylpyrazol-4-yl)methanol
CID 39095915
1-(4-Bromophenyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 43141347

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol?
The IUPAC name of [1-(4-bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol (CID 145379490) is [1-(4-bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(4-bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(4-bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol is OCc1cn(-c2ccc(Br)cc2)nc1-c1cccs1.
What is the InChIKey of [1-(4-bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol?
The InChIKey is ADYVTLSYACIXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c15-11-3-5-12(6-4-11)17-8-10(9-18)14(16-17)13-2-1-7-19-13/h1-8,18H,9H2.
What are the key properties of [1-(4-bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol?
[1-(4-bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol has a molecular weight of 335.23 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 145379490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).