4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide

C20H16FN3OS — CID 55674016

IUPAC4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Cn2cccn2)sc2cccc(F)c12
InChIInChI=1S/C20H16FN3OS/c1-13-18-15(21)7-4-9-17(18)26-19(13)20(25)23-16-8-3-2-6-14(16)12-24-11-5-10-22-24/h2-11H,12H2,1H3,(H,23,25)
InChIKeyHDPDWNKRPDSGGD-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.85
Rot. Bonds4

About 4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide

4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide (PubChem CID 55674016) has the molecular formula C20H16FN3OS and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide
PubChem CID55674016
Molecular FormulaC20H16FN3OS
Molecular Weight365.43 g/mol
Exact Mass365.10
IUPAC Name4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Cn2cccn2)sc2cccc(F)c12
InChIInChI=1S/C20H16FN3OS/c1-13-18-15(21)7-4-9-17(18)26-19(13)20(25)23-16-8-3-2-6-14(16)12-24-11-5-10-22-24/h2-11H,12H2,1H3,(H,23,25)
InChIKeyHDPDWNKRPDSGGD-UHFFFAOYSA-N
XLogP4.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857
4-fluoro-N-(2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8776982
7-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674253
4-fluoro-3-methyl-N-(2-thiophen-2-ylphenyl)-1-benzothiophene-2-carboxamide
CID 24568109
5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674048
4-fluoro-3-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-benzothiophene-2-carboxamide
CID 55764838
4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide
CID 46427634
5-(ethylsulfamoyl)-2-fluoro-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55932658
4-fluoro-3-methyl-N-pentyl-1-benzothiophene-2-carboxamide
CID 33141822
4-fluoro-N-(4-fluoro-2-methoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 33070425
3-amino-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 79517181

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide (CID 55674016) is 4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide is Cc1c(C(=O)Nc2ccccc2Cn2cccn2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is HDPDWNKRPDSGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS/c1-13-18-15(21)7-4-9-17(18)26-19(13)20(25)23-16-8-3-2-6-14(16)12-24-11-5-10-22-24/h2-11H,12H2,1H3,(H,23,25).
What are the key properties of 4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide?
4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 55674016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).