3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide

C16H12N4OS — CID 53163530

IUPAC3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
SMILESCc1sc(-c2ccn[nH]2)cc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H12N4OS/c1-10-14(8-15(22-10)13-5-6-18-20-13)19-16(21)12-4-2-3-11(7-12)9-17/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyNZMAJCKZSSTRDB-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.57
Rot. Bonds3

About 3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide

3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide (PubChem CID 53163530) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
PubChem CID53163530
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
SMILESCc1sc(-c2ccn[nH]2)cc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C16H12N4OS/c1-10-14(8-15(22-10)13-5-6-18-20-13)19-16(21)12-4-2-3-11(7-12)9-17/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyNZMAJCKZSSTRDB-UHFFFAOYSA-N
XLogP3.57
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
The IUPAC name of 3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide (CID 53163530) is 3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
The canonical SMILES for 3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide is Cc1sc(-c2ccn[nH]2)cc1NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
The InChIKey is NZMAJCKZSSTRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-10-14(8-15(22-10)13-5-6-18-20-13)19-16(21)12-4-2-3-11(7-12)9-17/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide has a molecular weight of 308.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 53163530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).