N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C23H28N6OS — CID 46685327

IUPACN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(SCC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)nnc1C1CC1
InChIInChI=1S/C23H28N6OS/c1-2-28-22(17-12-13-17)25-26-23(28)31-15-21(30)24-20-14-19(16-8-6-7-9-16)27-29(20)18-10-4-3-5-11-18/h3-5,10-11,14,16-17H,2,6-9,12-13,15H2,1H3,(H,24,30)
InChIKeyFUSLJJYROUGXIR-UHFFFAOYSA-N
MW436.59 g/mol
LogP4.75
Rot. Bonds8

About N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 46685327) has the molecular formula C23H28N6OS and a molecular weight of 436.59 g/mol. Its IUPAC name is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID46685327
Molecular FormulaC23H28N6OS
Molecular Weight436.59 g/mol
Exact Mass436.20
IUPAC NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(SCC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)nnc1C1CC1
InChIInChI=1S/C23H28N6OS/c1-2-28-22(17-12-13-17)25-26-23(28)31-15-21(30)24-20-14-19(16-8-6-7-9-16)27-29(20)18-10-4-3-5-11-18/h3-5,10-11,14,16-17H,2,6-9,12-13,15H2,1H3,(H,24,30)
InChIKeyFUSLJJYROUGXIR-UHFFFAOYSA-N
XLogP4.75
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46668060
2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]acetamide
CID 42971876
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 31614562
2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24675271
2-[(5-cyclopentyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 17269410
2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 1079521
N-(1,3-benzothiazol-2-yl)-2-[(5-cyclopentyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17303237
N-(2-bromophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8723769
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 855135
2-[(5-cyclopentyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 17303230

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 46685327) is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCn1c(SCC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)nnc1C1CC1.
What is the InChIKey of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is FUSLJJYROUGXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6OS/c1-2-28-22(17-12-13-17)25-26-23(28)31-15-21(30)24-20-14-19(16-8-6-7-9-16)27-29(20)18-10-4-3-5-11-18/h3-5,10-11,14,16-17H,2,6-9,12-13,15H2,1H3,(H,24,30).
What are the key properties of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 436.59 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 46685327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).