N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide

C8H6Cl2N4OS — CID 107959506

IUPACN-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
SMILESNc1cn[nH]c1NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H6Cl2N4OS/c9-5-1-3(6(10)16-5)8(15)13-7-4(11)2-12-14-7/h1-2H,11H2,(H2,12,13,14,15)
InChIKeyDQUTWZNBXYWIRN-UHFFFAOYSA-N
MW277.14 g/mol
LogP2.61
Rot. Bonds2

About N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide

N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 107959506) has the molecular formula C8H6Cl2N4OS and a molecular weight of 277.14 g/mol. Its IUPAC name is N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID107959506
Molecular FormulaC8H6Cl2N4OS
Molecular Weight277.14 g/mol
Exact Mass275.96
IUPAC NameN-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
SMILESNc1cn[nH]c1NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H6Cl2N4OS/c9-5-1-3(6(10)16-5)8(15)13-7-4(11)2-12-14-7/h1-2H,11H2,(H2,12,13,14,15)
InChIKeyDQUTWZNBXYWIRN-UHFFFAOYSA-N
XLogP2.61
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-1H-pyrazol-5-yl)-5-chloro-2-iodobenzamide
CID 114030278
N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 107959426
N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide
CID 113228330
N-(2-amino-6-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
CID 107959517
N-(4-amino-1H-pyrazol-5-yl)-5-bromothiophene-3-carboxamide
CID 107959505
2,5-dichloro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-3-carboxamide
CID 36579905
N-(5-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103604536
N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
CID 107959513
2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 102979594
2,5-dichloro-N-(2,5-difluorophenyl)thiophene-3-carboxamide
CID 51191647
2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide
CID 114053375
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2,5-dichlorothiophene-3-carboxamide
CID 146122700

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide (CID 107959506) is N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide is Nc1cn[nH]c1NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is DQUTWZNBXYWIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4OS/c9-5-1-3(6(10)16-5)8(15)13-7-4(11)2-12-14-7/h1-2H,11H2,(H2,12,13,14,15).
What are the key properties of N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide?
N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 277.14 g/mol, XLogP of 2.61, 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)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 107959506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).