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

C16H13F3N4OS — CID 23627971

IUPAC5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCn1nc(-c2ccc(C(=O)NCc3ccncc3)s2)cc1C(F)(F)F
InChIInChI=1S/C16H13F3N4OS/c1-23-14(16(17,18)19)8-11(22-23)12-2-3-13(25-12)15(24)21-9-10-4-6-20-7-5-10/h2-8H,9H2,1H3,(H,21,24)
InChIKeyNWEZLPWECBGQBM-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.49
Rot. Bonds4

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

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 23627971) has the molecular formula C16H13F3N4OS and a molecular weight of 366.37 g/mol. Its IUPAC name is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID23627971
Molecular FormulaC16H13F3N4OS
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCn1nc(-c2ccc(C(=O)NCc3ccncc3)s2)cc1C(F)(F)F
InChIInChI=1S/C16H13F3N4OS/c1-23-14(16(17,18)19)8-11(22-23)12-2-3-13(25-12)15(24)21-9-10-4-6-20-7-5-10/h2-8H,9H2,1H3,(H,21,24)
InChIKeyNWEZLPWECBGQBM-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 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (CID 23627971) is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is Cn1nc(-c2ccc(C(=O)NCc3ccncc3)s2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is NWEZLPWECBGQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS/c1-23-14(16(17,18)19)8-11(22-23)12-2-3-13(25-12)15(24)21-9-10-4-6-20-7-5-10/h2-8H,9H2,1H3,(H,21,24).
What are the key properties of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
5-[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 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 23627971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).