(5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol

C14H11BrN2OS — CID 61088977

IUPAC(5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)c1)c1ccc(Br)s1
InChIInChI=1S/C14H11BrN2OS/c15-13-7-6-12(19-13)14(18)10-8-16-17(9-10)11-4-2-1-3-5-11/h1-9,14,18H
InChIKeyRWCJUYWFEQLRQB-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.78
Rot. Bonds3

About (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol

(5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol (PubChem CID 61088977) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
PubChem CID61088977
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC Name(5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
SMILESOC(c1cnn(-c2ccccc2)c1)c1ccc(Br)s1
InChIInChI=1S/C14H11BrN2OS/c15-13-7-6-12(19-13)14(18)10-8-16-17(9-10)11-4-2-1-3-5-11/h1-9,14,18H
InChIKeyRWCJUYWFEQLRQB-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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
(2R,3S)-2-(1-phenylpyrazol-4-yl)-3-thiophen-3-ylbutan-2-ol
CID 164674011
3-[[1-(4-Fluorophenyl)pyrazol-4-yl]methylamino]-1-thiophen-2-ylbutan-1-ol
CID 109897825
{1-[5-fluoro-2-(1H-pyrazol-1-yl)benzyl]piperidin-4-yl}(2-thienyl)methanol
CID 131904673
(5-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11587150
[1-(4-Bromophenyl)-3-thiophen-2-ylpyrazol-4-yl]methanol
CID 145379490
[3-(5-Chlorothiophen-2-yl)-1-phenylpyrazol-4-yl]methanol
CID 164073771
(1-Ethyl-3-methylpyrazol-4-yl)-thiophen-2-ylmethanol
CID 171763235
(1-Benzyl-3-thiophen-2-ylpyrazol-4-yl)methanol
CID 25479420
(5-Bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine
CID 43464655
(5-Bromothiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 49962850
(5-Bromothiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
CID 61088765

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol (CID 61088977) is (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol is OC(c1cnn(-c2ccccc2)c1)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is RWCJUYWFEQLRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c15-13-7-6-12(19-13)14(18)10-8-16-17(9-10)11-4-2-1-3-5-11/h1-9,14,18H.
What are the key properties of (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
(5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol has a molecular weight of 335.23 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 61088977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).