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

C10H12BrN3OS — CID 115607977

IUPAC2-[4-[(5-bromothiophen-2-yl)methylamino]pyrazol-1-yl]ethanol
SMILESOCCn1cc(NCc2ccc(Br)s2)cn1
InChIInChI=1S/C10H12BrN3OS/c11-10-2-1-9(16-10)6-12-8-5-13-14(7-8)3-4-15/h1-2,5,7,12,15H,3-4,6H2
InChIKeyLFVXXTABLUADAU-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.31
Rot. Bonds5

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

2-[4-[(5-bromothiophen-2-yl)methylamino]pyrazol-1-yl]ethanol (PubChem CID 115607977) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-[4-[(5-bromothiophen-2-yl)methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-bromothiophen-2-yl)methylamino]pyrazol-1-yl]ethanol
PubChem CID115607977
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name2-[4-[(5-bromothiophen-2-yl)methylamino]pyrazol-1-yl]ethanol
SMILESOCCn1cc(NCc2ccc(Br)s2)cn1
InChIInChI=1S/C10H12BrN3OS/c11-10-2-1-9(16-10)6-12-8-5-13-14(7-8)3-4-15/h1-2,5,7,12,15H,3-4,6H2
InChIKeyLFVXXTABLUADAU-UHFFFAOYSA-N
XLogP2.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.31
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]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(5-bromothiophen-2-yl)methylamino]pyrazol-1-yl]ethanol (CID 115607977) is 2-[4-[(5-bromothiophen-2-yl)methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-bromothiophen-2-yl)methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(5-bromothiophen-2-yl)methylamino]pyrazol-1-yl]ethanol is OCCn1cc(NCc2ccc(Br)s2)cn1.
What is the InChIKey of 2-[4-[(5-bromothiophen-2-yl)methylamino]pyrazol-1-yl]ethanol?
The InChIKey is LFVXXTABLUADAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3OS/c11-10-2-1-9(16-10)6-12-8-5-13-14(7-8)3-4-15/h1-2,5,7,12,15H,3-4,6H2.
What are the key properties of 2-[4-[(5-bromothiophen-2-yl)methylamino]pyrazol-1-yl]ethanol?
2-[4-[(5-bromothiophen-2-yl)methylamino]pyrazol-1-yl]ethanol has a molecular weight of 302.20 g/mol, XLogP of 2.31, 5 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]pyrazol-1-yl]ethanol is sourced from PubChem (CID 115607977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).