N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide

C16H17N3OS — CID 121030371

IUPACN-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CSC2)C1CCC1
InChIInChI=1S/C16H17N3OS/c20-16(11-5-4-6-11)17-15-13-9-21-10-14(13)18-19(15)12-7-2-1-3-8-12/h1-3,7-8,11H,4-6,9-10H2,(H,17,20)
InChIKeyOACYPCMMONVCSD-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.36
Rot. Bonds3

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

N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide (PubChem CID 121030371) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide
PubChem CID121030371
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CSC2)C1CCC1
InChIInChI=1S/C16H17N3OS/c20-16(11-5-4-6-11)17-15-13-9-21-10-14(13)18-19(15)12-7-2-1-3-8-12/h1-3,7-8,11H,4-6,9-10H2,(H,17,20)
InChIKeyOACYPCMMONVCSD-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 5114556
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 121030426
N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide
CID 4191213
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 121030365
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxo-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 7673311
(3S)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7200125
2-(4-nitrophenyl)-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 7484062
N'-[(2R)-butan-2-yl]-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
CID 7423844
N-[(2S)-2-hydroxypropyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
CID 7673285
1-(3-methylphenyl)-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 44973902
2,3-dimethoxy-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
CID 3326950
N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 121030454

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide?
The IUPAC name of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide (CID 121030371) is N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide is O=C(Nc1c2c(nn1-c1ccccc1)CSC2)C1CCC1.
What is the InChIKey of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide?
The InChIKey is OACYPCMMONVCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c20-16(11-5-4-6-11)17-15-13-9-21-10-14(13)18-19(15)12-7-2-1-3-8-12/h1-3,7-8,11H,4-6,9-10H2,(H,17,20).
What are the key properties of N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide?
N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclobutanecarboxamide is sourced from PubChem (CID 121030371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).