N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide

C10H10BrN3OS — CID 47250379

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCc1cc(Br)cs1
InChIInChI=1S/C10H10BrN3OS/c11-8-4-9(16-7-8)5-12-10(15)6-14-3-1-2-13-14/h1-4,7H,5-6H2,(H,12,15)
InChIKeyBUXXFLGDVHWITJ-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.02
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide

N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide (PubChem CID 47250379) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide
PubChem CID47250379
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCc1cc(Br)cs1
InChIInChI=1S/C10H10BrN3OS/c11-8-4-9(16-7-8)5-12-10(15)6-14-3-1-2-13-14/h1-4,7H,5-6H2,(H,12,15)
InChIKeyBUXXFLGDVHWITJ-UHFFFAOYSA-N
XLogP2.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115580177
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide
CID 47250162
N-[(4-bromothiophen-2-yl)methyl]-2-methylpyrazole-3-carboxamide
CID 62299080
N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide
CID 47352361
N-[(4-bromothiophen-2-yl)methyl]dodecanamide
CID 65426710
N-[(4-bromothiophen-2-yl)methyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 47058899
N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 47250397
N-[(2-chlorophenyl)methyl]-2-pyrazol-1-ylacetamide
CID 39724151
(2S)-1-[2-[(4-bromothiophen-2-yl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 125149797
N-[(4-bromothiophen-2-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 47250258
1-[(4-bromothiophen-2-yl)methyl]-3-methylurea
CID 23548634
N-[(4-bromothiophen-2-yl)methyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110898936

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide (CID 47250379) is N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide?
The InChIKey is BUXXFLGDVHWITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c11-8-4-9(16-7-8)5-12-10(15)6-14-3-1-2-13-14/h1-4,7H,5-6H2,(H,12,15).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide?
N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide has a molecular weight of 300.18 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 47250379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).