2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol

C11H14BrN3OS — CID 64829996

IUPAC2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCc2ccc(Br)s2)cn1
InChIInChI=1S/C11H14BrN3OS/c12-11-2-1-10(17-11)7-13-5-9-6-14-15(8-9)3-4-16/h1-2,6,8,13,16H,3-5,7H2
InChIKeyZYBNQEBDOOHMQB-UHFFFAOYSA-N
MW316.22 g/mol
LogP1.99
Rot. Bonds6

About 2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol

2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64829996) has the molecular formula C11H14BrN3OS and a molecular weight of 316.22 g/mol. Its IUPAC name is 2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol
PubChem CID64829996
Molecular FormulaC11H14BrN3OS
Molecular Weight316.22 g/mol
Exact Mass315.00
IUPAC Name2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(CNCc2ccc(Br)s2)cn1
InChIInChI=1S/C11H14BrN3OS/c12-11-2-1-10(17-11)7-13-5-9-6-14-15(8-9)3-4-16/h1-2,6,8,13,16H,3-5,7H2
InChIKeyZYBNQEBDOOHMQB-UHFFFAOYSA-N
XLogP1.99
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol (CID 64829996) is 2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol is OCCn1cc(CNCc2ccc(Br)s2)cn1.
What is the InChIKey of 2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is ZYBNQEBDOOHMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3OS/c12-11-2-1-10(17-11)7-13-5-9-6-14-15(8-9)3-4-16/h1-2,6,8,13,16H,3-5,7H2.
What are the key properties of 2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 316.22 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(5-bromothiophen-2-yl)methylamino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64829996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).