3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

C16H13F3N4OS — CID 122698828

IUPAC3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCn1nc(-c2ccsc2C(=O)NCc2ccncc2)cc1C(F)(F)F
InChIInChI=1S/C16H13F3N4OS/c1-23-13(16(17,18)19)8-12(22-23)11-4-7-25-14(11)15(24)21-9-10-2-5-20-6-3-10/h2-8H,9H2,1H3,(H,21,24)
InChIKeyBLAGEDCONDZWFS-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.49
Rot. Bonds4

About 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 122698828) has the molecular formula C16H13F3N4OS and a molecular weight of 366.37 g/mol. Its IUPAC name is 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID122698828
Molecular FormulaC16H13F3N4OS
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC Name3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCn1nc(-c2ccsc2C(=O)NCc2ccncc2)cc1C(F)(F)F
InChIInChI=1S/C16H13F3N4OS/c1-23-13(16(17,18)19)8-12(22-23)11-4-7-25-14(11)15(24)21-9-10-2-5-20-6-3-10/h2-8H,9H2,1H3,(H,21,24)
InChIKeyBLAGEDCONDZWFS-UHFFFAOYSA-N
XLogP3.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (CID 122698828) is 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is Cn1nc(-c2ccsc2C(=O)NCc2ccncc2)cc1C(F)(F)F.
What is the InChIKey of 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is BLAGEDCONDZWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS/c1-23-13(16(17,18)19)8-12(22-23)11-4-7-25-14(11)15(24)21-9-10-2-5-20-6-3-10/h2-8H,9H2,1H3,(H,21,24).
What are the key properties of 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 122698828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).