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

C14H15N3OS — CID 3340822

IUPACN-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2
InChIInChI=1S/C14H15N3OS/c1-9-3-5-11(6-4-9)17-14(15-10(2)18)12-7-19-8-13(12)16-17/h3-6H,7-8H2,1-2H3,(H,15,18)
InChIKeyBPQKIMOZCGYIMY-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.89
Rot. Bonds2

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

N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (PubChem CID 3340822) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
PubChem CID3340822
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2
InChIInChI=1S/C14H15N3OS/c1-9-3-5-11(6-4-9)17-14(15-10(2)18)12-7-19-8-13(12)16-17/h3-6H,7-8H2,1-2H3,(H,15,18)
InChIKeyBPQKIMOZCGYIMY-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 135415440
CID 135415440
CID 2440126
CID 2440126
CID 756242
CID 756242
CID 756245
CID 756245
CID 3373386
CID 3373386
CID 4335648
CID 4335648
CID 4390646
CID 4390646
CID 4462899
CID 4462899
CID 4577202
CID 4577202
CID 4583155
CID 4583155
CID 5140889
CID 5140889
CID 5159937
CID 5159937

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The IUPAC name of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (CID 3340822) is N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is CC(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2.
What is the InChIKey of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The InChIKey is BPQKIMOZCGYIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-3-5-11(6-4-9)17-14(15-10(2)18)12-7-19-8-13(12)16-17/h3-6H,7-8H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide has a molecular weight of 273.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is sourced from PubChem (CID 3340822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).