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

C10H10Cl2N4OS — CID 107959513

IUPACN-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
SMILESCc1nn(C)c(NC(=O)c2cc(Cl)sc2Cl)c1N
InChIInChI=1S/C10H10Cl2N4OS/c1-4-7(13)9(16(2)15-4)14-10(17)5-3-6(11)18-8(5)12/h3H,13H2,1-2H3,(H,14,17)
InChIKeyDVXZOFNICYYTEW-UHFFFAOYSA-N
MW305.19 g/mol
LogP2.93
Rot. Bonds2

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

N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 107959513) has the molecular formula C10H10Cl2N4OS and a molecular weight of 305.19 g/mol. Its IUPAC name is N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID107959513
Molecular FormulaC10H10Cl2N4OS
Molecular Weight305.19 g/mol
Exact Mass304.00
IUPAC NameN-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
SMILESCc1nn(C)c(NC(=O)c2cc(Cl)sc2Cl)c1N
InChIInChI=1S/C10H10Cl2N4OS/c1-4-7(13)9(16(2)15-4)14-10(17)5-3-6(11)18-8(5)12/h3H,13H2,1-2H3,(H,14,17)
InChIKeyDVXZOFNICYYTEW-UHFFFAOYSA-N
XLogP2.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-1,3-dimethylpyrazol-5-yl)-3,5-dihydroxybenzamide
CID 107702247
2,5-dichloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]thiophene-3-carboxamide
CID 86930029
N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide
CID 107948865
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
2,5-dichloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-3-carboxamide
CID 16575328
2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide
CID 114053375
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2,5-dichlorothiophene-3-carboxylate
CID 41460115
N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
CID 107959506
N-(2-amino-2-methylpropyl)-2,5-dichlorothiophene-3-carboxamide
CID 103807484
2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 102979594
2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide
CID 47079521

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide (CID 107959513) is N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide is Cc1nn(C)c(NC(=O)c2cc(Cl)sc2Cl)c1N.
What is the InChIKey of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is DVXZOFNICYYTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4OS/c1-4-7(13)9(16(2)15-4)14-10(17)5-3-6(11)18-8(5)12/h3H,13H2,1-2H3,(H,14,17).
What are the key properties of N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide?
N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 305.19 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,3-dimethylpyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 107959513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).