N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide

C18H17N3O3S — CID 42874049

IUPACN-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESCCc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)Cc1cccs1
InChIInChI=1S/C18H17N3O3S/c1-2-13-18(19-16(22)9-12-4-3-7-25-12)17(21-20-13)11-5-6-14-15(8-11)24-10-23-14/h3-8H,2,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyNGLTZDYQCQAJEH-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.61
Rot. Bonds5

About N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide

N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 42874049) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
PubChem CID42874049
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
SMILESCCc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)Cc1cccs1
InChIInChI=1S/C18H17N3O3S/c1-2-13-18(19-16(22)9-12-4-3-7-25-12)17(21-20-13)11-5-6-14-15(8-11)24-10-23-14/h3-8H,2,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyNGLTZDYQCQAJEH-UHFFFAOYSA-N
XLogP3.61
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42685984
N-[5-ethyl-3-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 42687012
N-(3-ethyl-2H-indazol-5-yl)-2-thiophen-2-ylacetamide
CID 123966768
N-(5-ethyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104619581
N-[5-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 46390592
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036157
2-[3-(1,3-benzodioxol-5-yl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide
CID 163282611
2-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 41107572
N-[[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]thiophene-2-carboxamide
CID 10158985
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 42873998
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 104619985
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 18198225

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide (CID 42874049) is N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide is CCc1[nH]nc(-c2ccc3c(c2)OCO3)c1NC(=O)Cc1cccs1.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is NGLTZDYQCQAJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-2-13-18(19-16(22)9-12-4-3-7-25-12)17(21-20-13)11-5-6-14-15(8-11)24-10-23-14/h3-8H,2,9-10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide?
N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 355.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-yl)-5-ethyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42874049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).