5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide

C11H12ClN3O2S — CID 56791077

IUPAC5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCOc1c(NC(=O)c2ccc(Cl)s2)c(C)nn1C
InChIInChI=1S/C11H12ClN3O2S/c1-6-9(11(17-3)15(2)14-6)13-10(16)7-4-5-8(12)18-7/h4-5H,1-3H3,(H,13,16)
InChIKeyJGKOUXNEEACMCB-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.70
Rot. Bonds3

About 5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide

5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 56791077) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is 5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide
PubChem CID56791077
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Name5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCOc1c(NC(=O)c2ccc(Cl)s2)c(C)nn1C
InChIInChI=1S/C11H12ClN3O2S/c1-6-9(11(17-3)15(2)14-6)13-10(16)7-4-5-8(12)18-7/h4-5H,1-3H3,(H,13,16)
InChIKeyJGKOUXNEEACMCB-UHFFFAOYSA-N
XLogP2.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-2-carboxamide
CID 31520160
5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 30698931
5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide
CID 112524186
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 114979264
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 71855707
[3-[(5-chlorothiophene-2-carbonyl)amino]-1-methylpyrazol-4-yl] ethyl carbonate
CID 69136896
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 8950357
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1245265
N-(2,4-difluorophenyl)-N'-(5-methoxy-1,3-dimethylpyrazol-4-yl)oxamide
CID 71846877
5-chloro-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7244543
N-[5-(4-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]benzamide
CID 54541897
methyl 3-[(5-chlorothiophene-2-carbonyl)amino]pyridine-2-carboxylate
CID 59140476

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide (CID 56791077) is 5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide is COc1c(NC(=O)c2ccc(Cl)s2)c(C)nn1C.
What is the InChIKey of 5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is JGKOUXNEEACMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-6-9(11(17-3)15(2)14-6)13-10(16)7-4-5-8(12)18-7/h4-5H,1-3H3,(H,13,16).
What are the key properties of 5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide?
5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 285.76 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 56791077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).