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

C23H24N6O2S — CID 46668060

IUPACN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCn1c(SCC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)nnc1-c1ccco1
InChIInChI=1S/C23H24N6O2S/c1-28-22(19-12-7-13-31-19)25-26-23(28)32-15-21(30)24-20-14-18(16-8-5-6-9-16)27-29(20)17-10-3-2-4-11-17/h2-4,7,10-14,16H,5-6,8-9,15H2,1H3,(H,24,30)
InChIKeyQPCPNAUHIFXRDC-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.65
Rot. Bonds7

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

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 46668060) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID46668060
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCn1c(SCC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)nnc1-c1ccco1
InChIInChI=1S/C23H24N6O2S/c1-28-22(19-12-7-13-31-19)25-26-23(28)32-15-21(30)24-20-14-18(16-8-5-6-9-16)27-29(20)17-10-3-2-4-11-17/h2-4,7,10-14,16H,5-6,8-9,15H2,1H3,(H,24,30)
InChIKeyQPCPNAUHIFXRDC-UHFFFAOYSA-N
XLogP4.65
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 46685327
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55467551
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-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24675271
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 31614562
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 30777670
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24675301
3-[3-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]sulfanyl-5-(furan-2-yl)-1,2,4-triazol-4-yl]propanamide
CID 36883886
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 803006
2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 11729560

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 46668060) is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cn1c(SCC(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)nnc1-c1ccco1.
What is the InChIKey of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is QPCPNAUHIFXRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-28-22(19-12-7-13-31-19)25-26-23(28)32-15-21(30)24-20-14-18(16-8-5-6-9-16)27-29(20)17-10-3-2-4-11-17/h2-4,7,10-14,16H,5-6,8-9,15H2,1H3,(H,24,30).
What are the key properties of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 448.55 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 46668060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).