(5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol

C15H13BrN2OS — CID 79996999

IUPAC(5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
SMILESCc1cc(C(O)c2cnn(-c3ccccc3)c2)sc1Br
InChIInChI=1S/C15H13BrN2OS/c1-10-7-13(20-15(10)16)14(19)11-8-17-18(9-11)12-5-3-2-4-6-12/h2-9,14,19H,1H3
InChIKeyJBHQTJBYBQLBAO-UHFFFAOYSA-N
MW349.25 g/mol
LogP4.09
Rot. Bonds3

About (5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol

(5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol (PubChem CID 79996999) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
PubChem CID79996999
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
SMILESCc1cc(C(O)c2cnn(-c3ccccc3)c2)sc1Br
InChIInChI=1S/C15H13BrN2OS/c1-10-7-13(20-15(10)16)14(19)11-8-17-18(9-11)12-5-3-2-4-6-12/h2-9,14,19H,1H3
InChIKeyJBHQTJBYBQLBAO-UHFFFAOYSA-N
XLogP4.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 63210077
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
(5-bromo-4-methylthiophen-2-yl)-quinolin-3-ylmethanol
CID 114979842
(3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088968
4-[bromo-(5-methylthiophen-2-yl)methyl]-1-phenylpyrazole
CID 61097557
(5-bromo-4-methylthiophen-2-yl)-(3-methylphenyl)methanol
CID 79991362
(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088951
(5-ethylfuran-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 79096206
(2-bromo-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 81499833
(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088954
(2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088962
2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 61089136

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol (CID 79996999) is (5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol is Cc1cc(C(O)c2cnn(-c3ccccc3)c2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is JBHQTJBYBQLBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c1-10-7-13(20-15(10)16)14(19)11-8-17-18(9-11)12-5-3-2-4-6-12/h2-9,14,19H,1H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol?
(5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol has a molecular weight of 349.25 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 79996999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).