3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide

C22H22N4O2S — CID 11475262

IUPAC3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide
SMILESCSc1nn(-c2cc(C(=O)NC3CC3)ccc2C)c(N)c1C(=O)c1ccccc1
InChIInChI=1S/C22H22N4O2S/c1-13-8-9-15(21(28)24-16-10-11-16)12-17(13)26-20(23)18(22(25-26)29-2)19(27)14-6-4-3-5-7-14/h3-9,12,16H,10-11,23H2,1-2H3,(H,24,28)
InChIKeyZWWMSWCLDWRNLU-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.61
Rot. Bonds6

About 3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide

3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide (PubChem CID 11475262) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide
PubChem CID11475262
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide
SMILESCSc1nn(-c2cc(C(=O)NC3CC3)ccc2C)c(N)c1C(=O)c1ccccc1
InChIInChI=1S/C22H22N4O2S/c1-13-8-9-15(21(28)24-16-10-11-16)12-17(13)26-20(23)18(22(25-26)29-2)19(27)14-6-4-3-5-7-14/h3-9,12,16H,10-11,23H2,1-2H3,(H,24,28)
InChIKeyZWWMSWCLDWRNLU-UHFFFAOYSA-N
XLogP3.61
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide (CID 11475262) is 3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide is CSc1nn(-c2cc(C(=O)NC3CC3)ccc2C)c(N)c1C(=O)c1ccccc1.
What is the InChIKey of 3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide?
The InChIKey is ZWWMSWCLDWRNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-13-8-9-15(21(28)24-16-10-11-16)12-17(13)26-20(23)18(22(25-26)29-2)19(27)14-6-4-3-5-7-14/h3-9,12,16H,10-11,23H2,1-2H3,(H,24,28).
What are the key properties of 3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide?
3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide has a molecular weight of 406.51 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 11475262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).