2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(thiophen-2-ylmethyl)acetamide

C19H15ClN4O2S — CID 16957044

IUPAC2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O)NCc1cccs1
InChIInChI=1S/C19H15ClN4O2S/c20-14-5-3-13(4-6-14)16-10-17-19(26)23(7-8-24(17)22-16)12-18(25)21-11-15-2-1-9-27-15/h1-10H,11-12H2,(H,21,25)
InChIKeyIDKFOYNQYWVNIU-UHFFFAOYSA-N
MW398.88 g/mol
LogP3.19
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 16957044) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID16957044
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC Name2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O)NCc1cccs1
InChIInChI=1S/C19H15ClN4O2S/c20-14-5-3-13(4-6-14)16-10-17-19(26)23(7-8-24(17)22-16)12-18(25)21-11-15-2-1-9-27-15/h1-10H,11-12H2,(H,21,25)
InChIKeyIDKFOYNQYWVNIU-UHFFFAOYSA-N
XLogP3.19
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 16957044) is 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O)NCc1cccs1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is IDKFOYNQYWVNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c20-14-5-3-13(4-6-14)16-10-17-19(26)23(7-8-24(17)22-16)12-18(25)21-11-15-2-1-9-27-15/h1-10H,11-12H2,(H,21,25).
What are the key properties of 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 398.88 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 16957044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).