N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide

C21H15ClN4O2S — CID 121030428

IUPACN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H15ClN4O2S/c22-14-6-8-15(9-7-14)26-20(16-11-29-12-18(16)24-26)23-21(27)17-10-19(28-25-17)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,23,27)
InChIKeyQTERZCRFIZXNOL-UHFFFAOYSA-N
MW422.90 g/mol
LogP5.18
Rot. Bonds4

About N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 121030428) has the molecular formula C21H15ClN4O2S and a molecular weight of 422.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID121030428
Molecular FormulaC21H15ClN4O2S
Molecular Weight422.90 g/mol
Exact Mass422.06
IUPAC NameN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H15ClN4O2S/c22-14-6-8-15(9-7-14)26-20(16-11-29-12-18(16)24-26)23-21(27)17-10-19(28-25-17)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,23,27)
InChIKeyQTERZCRFIZXNOL-UHFFFAOYSA-N
XLogP5.18
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.90
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3511290
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-iodobenzamide
CID 3711750
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 121030403
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide
CID 121030440
3,5-dichloro-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 121030713
4-chloro-N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3323330
2,5-dichloro-N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4208067
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,3-dimethoxybenzamide
CID 5136320
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4-diethoxybenzamide
CID 3399728
5-(4-chlorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
CID 15988870
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 7424034
2-chloro-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 5114556

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 121030428) is N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is QTERZCRFIZXNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O2S/c22-14-6-8-15(9-7-14)26-20(16-11-29-12-18(16)24-26)23-21(27)17-10-19(28-25-17)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,23,27).
What are the key properties of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 422.90 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 121030428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).