N-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide

C8H7BrN4OS — CID 107959505

IUPACN-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide
SMILESNc1cn[nH]c1NC(=O)c1csc(Br)c1
InChIInChI=1S/C8H7BrN4OS/c9-6-1-4(3-15-6)8(14)12-7-5(10)2-11-13-7/h1-3H,10H2,(H2,11,12,13,14)
InChIKeyQKJMHJWSGCZTOS-UHFFFAOYSA-N
MW287.14 g/mol
LogP2.07
Rot. Bonds2

About N-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide

N-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide (PubChem CID 107959505) has the molecular formula C8H7BrN4OS and a molecular weight of 287.14 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide
PubChem CID107959505
Molecular FormulaC8H7BrN4OS
Molecular Weight287.14 g/mol
Exact Mass285.95
IUPAC NameN-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide
SMILESNc1cn[nH]c1NC(=O)c1csc(Br)c1
InChIInChI=1S/C8H7BrN4OS/c9-6-1-4(3-15-6)8(14)12-7-5(10)2-11-13-7/h1-3H,10H2,(H2,11,12,13,14)
InChIKeyQKJMHJWSGCZTOS-UHFFFAOYSA-N
XLogP2.07
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528827
N-(2-amino-5-chlorophenyl)-5-bromothiophene-3-carboxamide
CID 107959269
N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
CID 107959506
2-[(5-bromothiophene-3-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 78852049
5-bromo-N-(3,5-difluorophenyl)thiophene-3-carboxamide
CID 39642819
5-bromo-N-(5-bromo-2-chloro-3-pyridinyl)thiophene-3-carboxamide
CID 102979240
5-bromo-N-pyridin-2-ylthiophene-3-carboxamide
CID 25343632
4-amino-2-[(5-bromothiophene-3-carbonyl)amino]benzoic acid
CID 107959455
5-bromo-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 43424527
5-bromo-N-(4-chlorophenyl)thiophene-3-carboxamide
CID 43424533
5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide
CID 43806118
N-(6-amino-1,3-benzothiazol-2-yl)-5-bromothiophene-3-carboxamide
CID 107959275

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide?
The IUPAC name of N-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide (CID 107959505) is N-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide.
What is the SMILES notation for N-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide?
The canonical SMILES for N-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide is Nc1cn[nH]c1NC(=O)c1csc(Br)c1.
What is the InChIKey of N-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide?
The InChIKey is QKJMHJWSGCZTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4OS/c9-6-1-4(3-15-6)8(14)12-7-5(10)2-11-13-7/h1-3H,10H2,(H2,11,12,13,14).
What are the key properties of N-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide?
N-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide has a molecular weight of 287.14 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide is sourced from PubChem (CID 107959505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).