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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).