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

C18H16F3N3O2S — CID 23628095

IUPACN-[(4-methoxyphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)cc1
InChIInChI=1S/C18H16F3N3O2S/c1-24-16(18(19,20)21)9-13(23-24)14-7-8-15(27-14)17(25)22-10-11-3-5-12(26-2)6-4-11/h3-9H,10H2,1-2H3,(H,22,25)
InChIKeyQCUWKCVCYQBVJS-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.11
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 23628095) has the molecular formula C18H16F3N3O2S and a molecular weight of 395.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID23628095
Molecular FormulaC18H16F3N3O2S
Molecular Weight395.41 g/mol
Exact Mass395.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)cc1
InChIInChI=1S/C18H16F3N3O2S/c1-24-16(18(19,20)21)9-13(23-24)14-7-8-15(27-14)17(25)22-10-11-3-5-12(26-2)6-4-11/h3-9H,10H2,1-2H3,(H,22,25)
InChIKeyQCUWKCVCYQBVJS-UHFFFAOYSA-N
XLogP4.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide (CID 23628095) is N-[(4-methoxyphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide is COc1ccc(CNC(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is QCUWKCVCYQBVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2S/c1-24-16(18(19,20)21)9-13(23-24)14-7-8-15(27-14)17(25)22-10-11-3-5-12(26-2)6-4-11/h3-9H,10H2,1-2H3,(H,22,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 23628095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).