N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide

C21H23N3OS — CID 4259022

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide
SMILESCC(C)(C)c1cc(NC(=O)CSc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H23N3OS/c1-21(2,3)18-14-19(24(23-18)16-10-6-4-7-11-16)22-20(25)15-26-17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,22,25)
InChIKeyAFAZVRWPCDHAIN-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.90
Rot. Bonds5

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide (PubChem CID 4259022) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide
PubChem CID4259022
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide
SMILESCC(C)(C)c1cc(NC(=O)CSc2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H23N3OS/c1-21(2,3)18-14-19(24(23-18)16-10-6-4-7-11-16)22-20(25)15-26-17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,22,25)
InChIKeyAFAZVRWPCDHAIN-UHFFFAOYSA-N
XLogP4.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 16613947
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2125863
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 7845167
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41431321
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4854940
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 42733558
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 35844868
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide
CID 42730449
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4855635
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3886388
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 5026370
N-[1-(4-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-phenylacetamide
CID 46087859

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide (CID 4259022) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide is CC(C)(C)c1cc(NC(=O)CSc2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide?
The InChIKey is AFAZVRWPCDHAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-21(2,3)18-14-19(24(23-18)16-10-6-4-7-11-16)22-20(25)15-26-17-12-8-5-9-13-17/h4-14H,15H2,1-3H3,(H,22,25).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide has a molecular weight of 365.50 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 4259022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).