N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C23H21N3O2S — CID 10092573

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C23H21N3O2S/c1-28-19-11-9-17(10-12-19)13-14-24-23(27)20-16-26(18-6-3-2-4-7-18)25-22(20)21-8-5-15-29-21/h2-12,15-16H,13-14H2,1H3,(H,24,27)
InChIKeySBUWIUNYVDIRBL-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.58
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 10092573) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID10092573
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1
InChIInChI=1S/C23H21N3O2S/c1-28-19-11-9-17(10-12-19)13-14-24-23(27)20-16-26(18-6-3-2-4-7-18)25-22(20)21-8-5-15-29-21/h2-12,15-16H,13-14H2,1H3,(H,24,27)
InChIKeySBUWIUNYVDIRBL-UHFFFAOYSA-N
XLogP4.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 18204409
2-(4-methoxyphenyl)ethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 7841176
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 24517109
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106
2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 27914141
3-(2,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 29207262
N-[2-(2-fluorophenoxy)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 18228769
2,4-dimethoxy-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]benzamide
CID 142893891
N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10341461

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 10092573) is N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is COc1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is SBUWIUNYVDIRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-28-19-11-9-17(10-12-19)13-14-24-23(27)20-16-26(18-6-3-2-4-7-18)25-22(20)21-8-5-15-29-21/h2-12,15-16H,13-14H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 10092573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).