N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide

C13H8F3N3OS — CID 91808065

IUPACN-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1n[nH]c2c(C(F)(F)F)cccc12)c1cccs1
InChIInChI=1S/C13H8F3N3OS/c14-13(15,16)8-4-1-3-7-10(8)18-19-11(7)17-12(20)9-5-2-6-21-9/h1-6H,(H2,17,18,19,20)
InChIKeyMJZYGRRNSQNONW-UHFFFAOYSA-N
MW311.29 g/mol
LogP3.90
Rot. Bonds2

About N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide

N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide (PubChem CID 91808065) has the molecular formula C13H8F3N3OS and a molecular weight of 311.29 g/mol. Its IUPAC name is N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide
PubChem CID91808065
Molecular FormulaC13H8F3N3OS
Molecular Weight311.29 g/mol
Exact Mass311.03
IUPAC NameN-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1n[nH]c2c(C(F)(F)F)cccc12)c1cccs1
InChIInChI=1S/C13H8F3N3OS/c14-13(15,16)8-4-1-3-7-10(8)18-19-11(7)17-12(20)9-5-2-6-21-9/h1-6H,(H2,17,18,19,20)
InChIKeyMJZYGRRNSQNONW-UHFFFAOYSA-N
XLogP3.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-aminophenyl)-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide
CID 91199595
N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-7-fluoro-1H-indazol-3-yl]thiophene-2-carboxamide
CID 90732905
N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 43399092
N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 2811204
N-(1,2-benzoxazol-3-yl)thiophene-2-carboxamide
CID 11989434
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24671974
N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 7979324
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]thiophene-2-carboxamide
CID 131963289
N-[6-[4-[(2,3-dichlorophenyl)sulfonylamino]phenyl]-1H-indazol-3-yl]thiophene-2-carboxamide
CID 91530525
4-oxo-4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 36579570
N-[2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55933929
N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24653521

Frequently Asked Questions

What is the IUPAC name of N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide (CID 91808065) is N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide is O=C(Nc1n[nH]c2c(C(F)(F)F)cccc12)c1cccs1.
What is the InChIKey of N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide?
The InChIKey is MJZYGRRNSQNONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3OS/c14-13(15,16)8-4-1-3-7-10(8)18-19-11(7)17-12(20)9-5-2-6-21-9/h1-6H,(H2,17,18,19,20).
What are the key properties of N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide?
N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide has a molecular weight of 311.29 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(trifluoromethyl)-1H-indazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91808065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).