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

C16H19F3N4OS — CID 23627970

IUPAC5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESCn1nc(-c2ccc(C(=O)NCCN3CCCC3)s2)cc1C(F)(F)F
InChIInChI=1S/C16H19F3N4OS/c1-22-14(16(17,18)19)10-11(21-22)12-4-5-13(25-12)15(24)20-6-9-23-7-2-3-8-23/h4-5,10H,2-3,6-9H2,1H3,(H,20,24)
InChIKeyAAUSISBGSRNKPX-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.99
Rot. Bonds5

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

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 23627970) has the molecular formula C16H19F3N4OS and a molecular weight of 372.42 g/mol. Its IUPAC name is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
PubChem CID23627970
Molecular FormulaC16H19F3N4OS
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESCn1nc(-c2ccc(C(=O)NCCN3CCCC3)s2)cc1C(F)(F)F
InChIInChI=1S/C16H19F3N4OS/c1-22-14(16(17,18)19)10-11(21-22)12-4-5-13(25-12)15(24)20-6-9-23-7-2-3-8-23/h4-5,10H,2-3,6-9H2,1H3,(H,20,24)
InChIKeyAAUSISBGSRNKPX-UHFFFAOYSA-N
XLogP2.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (CID 23627970) is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is Cn1nc(-c2ccc(C(=O)NCCN3CCCC3)s2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is AAUSISBGSRNKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4OS/c1-22-14(16(17,18)19)10-11(21-22)12-4-5-13(25-12)15(24)20-6-9-23-7-2-3-8-23/h4-5,10H,2-3,6-9H2,1H3,(H,20,24).
What are the key properties of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 23627970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).