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

C16H15N3OS — CID 42687286

IUPACN-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
SMILESCCc1[nH]nc(-c2ccsc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C16H15N3OS/c1-2-13-15(14(19-18-13)12-8-9-21-10-12)17-16(20)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,20)(H,18,19)
InChIKeyXOIBOEJENBNDHL-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.95
Rot. Bonds4

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

N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide (PubChem CID 42687286) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
PubChem CID42687286
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
SMILESCCc1[nH]nc(-c2ccsc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C16H15N3OS/c1-2-13-15(14(19-18-13)12-8-9-21-10-12)17-16(20)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,20)(H,18,19)
InChIKeyXOIBOEJENBNDHL-UHFFFAOYSA-N
XLogP3.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide (CID 42687286) is N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide is CCc1[nH]nc(-c2ccsc2)c1NC(=O)c1ccccc1.
What is the InChIKey of N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide?
The InChIKey is XOIBOEJENBNDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-2-13-15(14(19-18-13)12-8-9-21-10-12)17-16(20)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide?
N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide has a molecular weight of 297.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 42687286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).