N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide

C24H22FN3O2S — CID 20886604

IUPACN-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cc(-c3cccs3)nn2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FN3O2S/c1-2-30-20-11-7-17(8-12-20)15-26-24(29)22-14-21(23-4-3-13-31-23)27-28(22)16-18-5-9-19(25)10-6-18/h3-14H,2,15-16H2,1H3,(H,26,29)
InChIKeyJUAIJFHRFABPMJ-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.13
Rot. Bonds8

About N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide

N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 20886604) has the molecular formula C24H22FN3O2S and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID20886604
Molecular FormulaC24H22FN3O2S
Molecular Weight435.52 g/mol
Exact Mass435.14
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cc(-c3cccs3)nn2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FN3O2S/c1-2-30-20-11-7-17(8-12-20)15-26-24(29)22-14-21(23-4-3-13-31-23)27-28(22)16-18-5-9-19(25)10-6-18/h3-14H,2,15-16H2,1H3,(H,26,29)
InChIKeyJUAIJFHRFABPMJ-UHFFFAOYSA-N
XLogP5.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 20886591
N-[(4-fluorophenyl)methyl]-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040500
1-benzyl-3-thiophen-2-ylpyrazole-5-carboxylic acid
CID 82378437
N-[(4-ethoxyphenyl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 71825312
N-[(4-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 42797272
1-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762181
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4541303
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 16885563
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 46105412

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide (CID 20886604) is N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide is CCOc1ccc(CNC(=O)c2cc(-c3cccs3)nn2Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is JUAIJFHRFABPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2S/c1-2-30-20-11-7-17(8-12-20)15-26-24(29)22-14-21(23-4-3-13-31-23)27-28(22)16-18-5-9-19(25)10-6-18/h3-14H,2,15-16H2,1H3,(H,26,29).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 20886604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).