N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide

C16H18ClN3O2S — CID 11883665

IUPACN-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)c1ccc(Cl)cc1)C[S@@](=O)C2
InChIInChI=1S/C16H18ClN3O2S/c1-16(2,3)20-14(12-8-23(22)9-13(12)19-20)18-15(21)10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3,(H,18,21)/t23-/m1/s1
InChIKeyUPAXDMMFCIDKOI-HSZRJFAPSA-N
MW351.86 g/mol
LogP3.31
Rot. Bonds2

About N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide

N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide (PubChem CID 11883665) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide
PubChem CID11883665
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC NameN-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)c1ccc(Cl)cc1)C[S@@](=O)C2
InChIInChI=1S/C16H18ClN3O2S/c1-16(2,3)20-14(12-8-23(22)9-13(12)19-20)18-15(21)10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3,(H,18,21)/t23-/m1/s1
InChIKeyUPAXDMMFCIDKOI-HSZRJFAPSA-N
XLogP3.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide with MolForge

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Related Compounds

N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-3,4-dimethoxybenzamide
CID 2160514
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)thiophene-2-carboxamide
CID 756307
N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-iodobenzamide
CID 41060057
N-[(5S)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide
CID 11863875
N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-nitrobenzamide
CID 11877727
4-chloro-N-[(5R)-2-(3-chlorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11883668
4-chloro-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3352139
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)butanamide
CID 5095506
N-(2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-ethoxybenzamide
CID 2160239
4-chloro-N-[(5R)-2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11883674
N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentanecarboxamide
CID 40768398
4-tert-butyl-N-[(5S)-2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11863902

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide?
The IUPAC name of N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide (CID 11883665) is N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide?
The canonical SMILES for N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide is CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Cl)cc1)C[S@@](=O)C2.
What is the InChIKey of N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide?
The InChIKey is UPAXDMMFCIDKOI-HSZRJFAPSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-16(2,3)20-14(12-8-23(22)9-13(12)19-20)18-15(21)10-4-6-11(17)7-5-10/h4-7H,8-9H2,1-3H3,(H,18,21)/t23-/m1/s1.
What are the key properties of N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide?
N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide has a molecular weight of 351.86 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-chlorobenzamide is sourced from PubChem (CID 11883665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).