5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide

C19H18F3N3OS — CID 23627450

IUPAC5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)c1ccccc1
InChIInChI=1S/C19H18F3N3OS/c1-3-11-25(13-7-5-4-6-8-13)18(26)16-10-9-15(27-16)14-12-17(19(20,21)22)24(2)23-14/h4-10,12H,3,11H2,1-2H3
InChIKeyUTEUBTBQXVOVHN-UHFFFAOYSA-N
MW393.43 g/mol
LogP5.22
Rot. Bonds5

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

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide (PubChem CID 23627450) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide
PubChem CID23627450
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC Name5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)c1ccccc1
InChIInChI=1S/C19H18F3N3OS/c1-3-11-25(13-7-5-4-6-8-13)18(26)16-10-9-15(27-16)14-12-17(19(20,21)22)24(2)23-14/h4-10,12H,3,11H2,1-2H3
InChIKeyUTEUBTBQXVOVHN-UHFFFAOYSA-N
XLogP5.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide (CID 23627450) is 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1)c1ccccc1.
What is the InChIKey of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide?
The InChIKey is UTEUBTBQXVOVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c1-3-11-25(13-7-5-4-6-8-13)18(26)16-10-9-15(27-16)14-12-17(19(20,21)22)24(2)23-14/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide?
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenyl-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 23627450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).