(4-bromothiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol

C14H11BrN2OS — CID 105113086

IUPAC(4-bromothiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol
SMILESOC(c1ccn(-c2ccccc2)n1)c1cscc1Br
InChIInChI=1S/C14H11BrN2OS/c15-12-9-19-8-11(12)14(18)13-6-7-17(16-13)10-4-2-1-3-5-10/h1-9,14,18H
InChIKeyPOHTYJBKTDDKGA-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.78
Rot. Bonds3

About (4-bromothiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol

(4-bromothiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol (PubChem CID 105113086) has the molecular formula C14H11BrN2OS and a molecular weight of 335.23 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol
PubChem CID105113086
Molecular FormulaC14H11BrN2OS
Molecular Weight335.23 g/mol
Exact Mass333.98
IUPAC Name(4-bromothiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol
SMILESOC(c1ccn(-c2ccccc2)n1)c1cscc1Br
InChIInChI=1S/C14H11BrN2OS/c15-12-9-19-8-11(12)14(18)13-6-7-17(16-13)10-4-2-1-3-5-10/h1-9,14,18H
InChIKeyPOHTYJBKTDDKGA-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
(4-Bromo-1-ethylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 105127635
(4-Bromo-1-propylpyrazol-5-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 105128052
2-[[1-(4-Fluorophenyl)pyrazol-4-yl]methylamino]-1-thiophen-3-ylethanol
CID 111440364
(4-Bromo-1-ethylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 115834771
(4-Bromo-1-propylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 115835038
2-[1-[1-(4-Fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol
CID 146127878
(4-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11536370
(5-Bromothiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 11587150
(1-Methyl-1H-pyrazol-5-yl)(3-methylthiophen-2-yl)methanol
CID 11600915
(2-Methylpyrazol-3-yl)-thiophen-3-ylmethanol
CID 63963692
(2-Methylpyrazol-3-yl)-(4-methylthiophen-2-yl)methanol
CID 69789370

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol (CID 105113086) is (4-bromothiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol is OC(c1ccn(-c2ccccc2)n1)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol?
The InChIKey is POHTYJBKTDDKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2OS/c15-12-9-19-8-11(12)14(18)13-6-7-17(16-13)10-4-2-1-3-5-10/h1-9,14,18H.
What are the key properties of (4-bromothiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol?
(4-bromothiophen-3-yl)-(1-phenylpyrazol-3-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 (4-bromothiophen-3-yl)-(1-phenylpyrazol-3-yl)methanol is sourced from PubChem (CID 105113086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).