[5-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol

C15H12BrClN2OS — CID 150345553

IUPAC[5-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol
SMILESOCc1cc(-c2cc(Br)cs2)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C15H12BrClN2OS/c16-11-5-15(21-9-11)14-6-12(8-20)18-19(14)7-10-3-1-2-4-13(10)17/h1-6,9,20H,7-8H2
InChIKeyGSPVKRGWBYOCNC-UHFFFAOYSA-N
MW383.70 g/mol
LogP4.57
Rot. Bonds4

About [5-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol

[5-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol (PubChem CID 150345553) has the molecular formula C15H12BrClN2OS and a molecular weight of 383.70 g/mol. Its IUPAC name is [5-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol
PubChem CID150345553
Molecular FormulaC15H12BrClN2OS
Molecular Weight383.70 g/mol
Exact Mass381.95
IUPAC Name[5-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol
SMILESOCc1cc(-c2cc(Br)cs2)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C15H12BrClN2OS/c16-11-5-15(21-9-11)14-6-12(8-20)18-19(14)7-10-3-1-2-4-13(10)17/h1-6,9,20H,7-8H2
InChIKeyGSPVKRGWBYOCNC-UHFFFAOYSA-N
XLogP4.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol?
The IUPAC name of [5-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol (CID 150345553) is [5-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol.
What is the SMILES notation for [5-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol?
The canonical SMILES for [5-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol is OCc1cc(-c2cc(Br)cs2)n(Cc2ccccc2Cl)n1.
What is the InChIKey of [5-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol?
The InChIKey is GSPVKRGWBYOCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2OS/c16-11-5-15(21-9-11)14-6-12(8-20)18-19(14)7-10-3-1-2-4-13(10)17/h1-6,9,20H,7-8H2.
What are the key properties of [5-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol?
[5-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol has a molecular weight of 383.70 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromothiophen-2-yl)-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanol is sourced from PubChem (CID 150345553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).