N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide

C30H25N3OS — CID 2650045

IUPACN-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide
SMILESCc1ccc(C)c(Sc2ccc(NC(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)cc2)c1
InChIInChI=1S/C30H25N3OS/c1-21-13-14-22(2)29(19-21)35-26-17-15-24(16-18-26)31-30(34)28-20-27(23-9-5-3-6-10-23)32-33(28)25-11-7-4-8-12-25/h3-20H,1-2H3,(H,31,34)
InChIKeyGGZGHZOBMWEUBB-UHFFFAOYSA-N
MW475.62 g/mol
LogP7.56
Rot. Bonds6

About N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide

N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 2650045) has the molecular formula C30H25N3OS and a molecular weight of 475.62 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide
PubChem CID2650045
Molecular FormulaC30H25N3OS
Molecular Weight475.62 g/mol
Exact Mass475.17
IUPAC NameN-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide
SMILESCc1ccc(C)c(Sc2ccc(NC(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)cc2)c1
InChIInChI=1S/C30H25N3OS/c1-21-13-14-22(2)29(19-21)35-26-17-15-24(16-18-26)31-30(34)28-20-27(23-9-5-3-6-10-23)32-33(28)25-11-7-4-8-12-25/h3-20H,1-2H3,(H,31,34)
InChIKeyGGZGHZOBMWEUBB-UHFFFAOYSA-N
XLogP7.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.62
LogP ≤ 57.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52694433
3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide
CID 4015371
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 4638093
N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
CID 42758287
methyl 3-[(1,3-diphenylpyrazole-5-carbonyl)amino]-4-methylbenzoate
CID 7920471
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7934858
N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 3975682
3-(3,4-dimethylphenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3541838
N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7915082
N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754685

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide (CID 2650045) is N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide is Cc1ccc(C)c(Sc2ccc(NC(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)cc2)c1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is GGZGHZOBMWEUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3OS/c1-21-13-14-22(2)29(19-21)35-26-17-15-24(16-18-26)31-30(34)28-20-27(23-9-5-3-6-10-23)32-33(28)25-11-7-4-8-12-25/h3-20H,1-2H3,(H,31,34).
What are the key properties of N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide?
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 475.62 g/mol, XLogP of 7.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 2650045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).