2-ethylsulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide

C16H19N3O2S — CID 71810108

IUPAC2-ethylsulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
SMILESCCSc1ccccc1C(=O)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C16H19N3O2S/c1-2-22-15-6-4-3-5-14(15)16(20)18-12-9-17-19(10-12)13-7-8-21-11-13/h3-6,9-10,13H,2,7-8,11H2,1H3,(H,18,20)
InChIKeyAZAJUAQPRMJVHK-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.21
Rot. Bonds5

About 2-ethylsulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide

2-ethylsulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide (PubChem CID 71810108) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
PubChem CID71810108
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-ethylsulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
SMILESCCSc1ccccc1C(=O)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C16H19N3O2S/c1-2-22-15-6-4-3-5-14(15)16(20)18-12-9-17-19(10-12)13-7-8-21-11-13/h3-6,9-10,13H,2,7-8,11H2,1H3,(H,18,20)
InChIKeyAZAJUAQPRMJVHK-UHFFFAOYSA-N
XLogP3.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methyl-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 19615665
N-(1,3-dimethyl-1H-pyrazol-4-yl)-5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-thiophene-3-carboxamide
CID 118432830
N-(1-ethyl-1H-pyrazol-4-yl)-5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-thiophene-3-carboxamide
CID 118432902
N-(1,3-dimethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
CID 131709611
N-(1-ethylpyrazol-4-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
CID 131709616
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 47057480
N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)-2-(m-tolyl)acetamide
CID 71810098
4-(pyrrolidin-1-ylsulfonyl)-N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)benzamide
CID 71810103
N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)benzo[b]thiophene-2-carboxamide
CID 71810136
2-(4-(isopropylsulfonyl)phenyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)acetamide
CID 71810230
4-methyl-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 71810236
2-(ethylthio)-N-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)benzamide
CID 90622188

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide (CID 71810108) is 2-ethylsulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide is CCSc1ccccc1C(=O)Nc1cnn(C2CCOC2)c1.
What is the InChIKey of 2-ethylsulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide?
The InChIKey is AZAJUAQPRMJVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-2-22-15-6-4-3-5-14(15)16(20)18-12-9-17-19(10-12)13-7-8-21-11-13/h3-6,9-10,13H,2,7-8,11H2,1H3,(H,18,20).
What are the key properties of 2-ethylsulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide?
2-ethylsulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide has a molecular weight of 317.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 71810108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).