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

C19H18F3N3OS — CID 23627332

IUPACN-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1cc(C)cc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)c1
InChIInChI=1S/C19H18F3N3OS/c1-11-6-12(2)8-13(7-11)10-23-18(26)16-5-4-15(27-16)14-9-17(19(20,21)22)25(3)24-14/h4-9H,10H2,1-3H3,(H,23,26)
InChIKeyZLTPPUANIDEXDN-UHFFFAOYSA-N
MW393.43 g/mol
LogP4.71
Rot. Bonds4

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

N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 23627332) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID23627332
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1cc(C)cc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)c1
InChIInChI=1S/C19H18F3N3OS/c1-11-6-12(2)8-13(7-11)10-23-18(26)16-5-4-15(27-16)14-9-17(19(20,21)22)25(3)24-14/h4-9H,10H2,1-3H3,(H,23,26)
InChIKeyZLTPPUANIDEXDN-UHFFFAOYSA-N
XLogP4.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (CID 23627332) is N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide is Cc1cc(C)cc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is ZLTPPUANIDEXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c1-11-6-12(2)8-13(7-11)10-23-18(26)16-5-4-15(27-16)14-9-17(19(20,21)22)25(3)24-14/h4-9H,10H2,1-3H3,(H,23,26).
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 23627332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).