N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide

C17H17N3O2S — CID 42687302

IUPACN-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide
SMILESCCc1[nH]nc(-c2ccsc2)c1NC(=O)c1ccccc1OC
InChIInChI=1S/C17H17N3O2S/c1-3-13-16(15(20-19-13)11-8-9-23-10-11)18-17(21)12-6-4-5-7-14(12)22-2/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUHKZZMISKFQCFN-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.96
Rot. Bonds5

About N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide

N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide (PubChem CID 42687302) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide
PubChem CID42687302
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide
SMILESCCc1[nH]nc(-c2ccsc2)c1NC(=O)c1ccccc1OC
InChIInChI=1S/C17H17N3O2S/c1-3-13-16(15(20-19-13)11-8-9-23-10-11)18-17(21)12-6-4-5-7-14(12)22-2/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUHKZZMISKFQCFN-UHFFFAOYSA-N
XLogP3.96
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
CID 42685636
N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
CID 42686670
N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide
CID 42656651
N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42687684
N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide
CID 42874270
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide
CID 42687275
benzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate
CID 42874454
1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122162320
N-[4-[4-[(2R)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 6552731
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methoxybenzamide
CID 22479909

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide?
The IUPAC name of N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide (CID 42687302) is N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide?
The canonical SMILES for N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide is CCc1[nH]nc(-c2ccsc2)c1NC(=O)c1ccccc1OC.
What is the InChIKey of N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide?
The InChIKey is UHKZZMISKFQCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-3-13-16(15(20-19-13)11-8-9-23-10-11)18-17(21)12-6-4-5-7-14(12)22-2/h4-10H,3H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide?
N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide has a molecular weight of 327.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide is sourced from PubChem (CID 42687302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).