N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide

C13H12ClN3OS — CID 4305987

IUPACN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2
InChIInChI=1S/C13H12ClN3OS/c1-8(18)15-13-11-6-19-7-12(11)16-17(13)10-4-2-9(14)3-5-10/h2-5H,6-7H2,1H3,(H,15,18)
InChIKeyJLQMSWJFRVNONU-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.23
Rot. Bonds2

About N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide

N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (PubChem CID 4305987) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
PubChem CID4305987
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC NameN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2
InChIInChI=1S/C13H12ClN3OS/c1-8(18)15-13-11-6-19-7-12(11)16-17(13)10-4-2-9(14)3-5-10/h2-5H,6-7H2,1H3,(H,15,18)
InChIKeyJLQMSWJFRVNONU-UHFFFAOYSA-N
XLogP3.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (CID 4305987) is N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is CC(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2.
What is the InChIKey of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The InChIKey is JLQMSWJFRVNONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS/c1-8(18)15-13-11-6-19-7-12(11)16-17(13)10-4-2-9(14)3-5-10/h2-5H,6-7H2,1H3,(H,15,18).
What are the key properties of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide has a molecular weight of 293.78 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is sourced from PubChem (CID 4305987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).