N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide

C12H13F3N4OS — CID 58955928

IUPACN-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCn1nc(-c2ccc(C(=O)NCCN)s2)cc1C(F)(F)F
InChIInChI=1S/C12H13F3N4OS/c1-19-10(12(13,14)15)6-7(18-19)8-2-3-9(21-8)11(20)17-5-4-16/h2-3,6H,4-5,16H2,1H3,(H,17,20)
InChIKeyKZKPWYWCIAZDSF-UHFFFAOYSA-N
MW318.32 g/mol
LogP1.86
Rot. Bonds4

About N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide

N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 58955928) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID58955928
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC NameN-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCn1nc(-c2ccc(C(=O)NCCN)s2)cc1C(F)(F)F
InChIInChI=1S/C12H13F3N4OS/c1-19-10(12(13,14)15)6-7(18-19)8-2-3-9(21-8)11(20)17-5-4-16/h2-3,6H,4-5,16H2,1H3,(H,17,20)
InChIKeyKZKPWYWCIAZDSF-UHFFFAOYSA-N
XLogP1.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide
CID 23628030
N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 23627332
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbonyl chloride
CID 22288389
N-(2-bicyclo[2.2.2]octanyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 58329684
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(1-pyridin-4-ylpropyl)thiophene-2-carboxamide
CID 67089205
aziridin-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 58955761
N-(cyclopropylmethyl)-5-[5-[difluoro(phosphanyl)methyl]-1-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 143533823
3-(dimethylamino)-1-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]prop-2-en-1-one
CID 2820304
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide
CID 23627450
azocan-1-yl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone
CID 58955900
N-(cyclopropylmethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-propylthiophene-2-carboxamide;ethane
CID 143534142
N-(cyclohexylmethyl)-5-[5-(1,1-difluoropropyl)-1-methylpyrazol-3-yl]thiophene-2-carboxamide
CID 143533891

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (CID 58955928) is N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide is Cn1nc(-c2ccc(C(=O)NCCN)s2)cc1C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is KZKPWYWCIAZDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-19-10(12(13,14)15)6-7(18-19)8-2-3-9(21-8)11(20)17-5-4-16/h2-3,6H,4-5,16H2,1H3,(H,17,20).
What are the key properties of N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 318.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 58955928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).