2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide

C7H10BrN3OS — CID 19524595

IUPAC2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
SMILESO=C(Cn1cc(Br)cn1)NCCS
InChIInChI=1S/C7H10BrN3OS/c8-6-3-10-11(4-6)5-7(12)9-1-2-13/h3-4,13H,1-2,5H2,(H,9,12)
InChIKeyIPUATVJPWUVNAF-UHFFFAOYSA-N
MW264.15 g/mol
LogP0.69
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide

2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide (PubChem CID 19524595) has the molecular formula C7H10BrN3OS and a molecular weight of 264.15 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
PubChem CID19524595
Molecular FormulaC7H10BrN3OS
Molecular Weight264.15 g/mol
Exact Mass262.97
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
SMILESO=C(Cn1cc(Br)cn1)NCCS
InChIInChI=1S/C7H10BrN3OS/c8-6-3-10-11(4-6)5-7(12)9-1-2-13/h3-4,13H,1-2,5H2,(H,9,12)
InChIKeyIPUATVJPWUVNAF-UHFFFAOYSA-N
XLogP0.69
TPSA46.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 50988940
2-(4-Bromo-1H-pyrazol-1-yl)-N-propylpropanamide
CID 19537573
2-(4-bromopyrazol-1-yl)-N-[3-(diethylamino)propyl]propanamide
CID 19537737
2-(4-bromopyrazol-1-yl)-N-cyclopentylacetamide
CID 19524496
2-(4-bromo-1H-pyrazol-1-yl)propanamide
CID 46318313
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 19282850
N-[3-(4-bromopyrazol-1-yl)propyl]-2,2,2-trifluoroacetamide
CID 19297551
2-(4-Bromo-1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 52176175
2-(4-Bromo-1H-pyrazol-1-yl)-N-(2,2-difluoroethyl)acetamide
CID 165429514
2-(4-Bromo-1H-pyrazol-1-YL)-N-methylacetamide
CID 19524760
2-(4-bromopyrazol-1-yl)-N-[3-(dimethylamino)propyl]propanamide
CID 19537575
2-(4-bromo-1H-pyrazol-1-yl)-1-(piperazin-1-yl)ethan-1-one
CID 19576808

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide (CID 19524595) is 2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide is O=C(Cn1cc(Br)cn1)NCCS.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide?
The InChIKey is IPUATVJPWUVNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3OS/c8-6-3-10-11(4-6)5-7(12)9-1-2-13/h3-4,13H,1-2,5H2,(H,9,12).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide?
2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide has a molecular weight of 264.15 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-(2-sulfanylethyl)acetamide is sourced from PubChem (CID 19524595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).