N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide

C10H11BrN4OS — CID 113285899

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide
SMILESNc1cnn(CCNC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C10H11BrN4OS/c11-9-2-1-8(17-9)10(16)13-3-4-15-6-7(12)5-14-15/h1-2,5-6H,3-4,12H2,(H,13,16)
InChIKeyRBGBXTZKUDCVLM-UHFFFAOYSA-N
MW315.20 g/mol
LogP1.72
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide (PubChem CID 113285899) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide
PubChem CID113285899
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide
SMILESNc1cnn(CCNC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C10H11BrN4OS/c11-9-2-1-8(17-9)10(16)13-3-4-15-6-7(12)5-14-15/h1-2,5-6H,3-4,12H2,(H,13,16)
InChIKeyRBGBXTZKUDCVLM-UHFFFAOYSA-N
XLogP1.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
CID 55139382
N-[2-(4-aminopyrazol-1-yl)ethyl]benzamide
CID 115319572
N-[2-(4-aminopyrazol-1-yl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 115319654
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide
CID 115319755
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromopyridine-3-carboxamide
CID 113285893
5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 55029116
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-(2,6-difluorophenyl)acetamide
CID 115319698
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-2-carboxamide
CID 104693703
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-chloro-2-methylbenzamide
CID 82881102
N-[2-(4-aminopyrazol-1-yl)ethyl]-3-hydroxybenzamide
CID 115319665
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 107971078

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide (CID 113285899) is N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide is Nc1cnn(CCNC(=O)c2ccc(Br)s2)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide?
The InChIKey is RBGBXTZKUDCVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4OS/c11-9-2-1-8(17-9)10(16)13-3-4-15-6-7(12)5-14-15/h1-2,5-6H,3-4,12H2,(H,13,16).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-5-bromothiophene-2-carboxamide is sourced from PubChem (CID 113285899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).