4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide

C19H20FN3O2S — CID 19469603

IUPAC4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(COc3ccc(F)cc3)cs2)n(C(C)C)n1
InChIInChI=1S/C19H20FN3O2S/c1-12(2)23-18(8-13(3)22-23)21-19(24)17-9-14(11-26-17)10-25-16-6-4-15(20)5-7-16/h4-9,11-12H,10H2,1-3H3,(H,21,24)
InChIKeyYVBOXNBBHKKIRK-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.80
Rot. Bonds6

About 4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide

4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 19469603) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID19469603
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(COc3ccc(F)cc3)cs2)n(C(C)C)n1
InChIInChI=1S/C19H20FN3O2S/c1-12(2)23-18(8-13(3)22-23)21-19(24)17-9-14(11-26-17)10-25-16-6-4-15(20)5-7-16/h4-9,11-12H,10H2,1-3H3,(H,21,24)
InChIKeyYVBOXNBBHKKIRK-UHFFFAOYSA-N
XLogP4.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19502995
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454
N-(2,5-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469482
N-ethyl-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469568
4-[(3,4-dimethylphenoxy)methyl]-N-(5-methyl-2-propylpyrazol-3-yl)thiophene-2-carboxamide
CID 19469358
N-(2,3-dimethylphenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469374
N-(3,5-dichlorophenyl)-4-[(4-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19469372
N-[(4-fluorophenyl)methyl]-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484549
4-[(2,6-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)thiophene-2-carboxamide
CID 19488732
4-[(4-fluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19469491
N-(2,5-difluorophenyl)-4-[(4-ethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471460
N-(3,4-difluorophenyl)-4-[(4-propan-2-ylphenoxy)methyl]thiophene-2-carboxamide
CID 19484567

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide (CID 19469603) is 4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(COc3ccc(F)cc3)cs2)n(C(C)C)n1.
What is the InChIKey of 4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is YVBOXNBBHKKIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-12(2)23-18(8-13(3)22-23)21-19(24)17-9-14(11-26-17)10-25-16-6-4-15(20)5-7-16/h4-9,11-12H,10H2,1-3H3,(H,21,24).
What are the key properties of 4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide?
4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenoxy)methyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 19469603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).