N-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

C18H26N4OS — CID 56780721

IUPACN-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCc1nn(C)c(C)c1C1CCCN1CC(=O)NCCc1ccsc1
InChIInChI=1S/C18H26N4OS/c1-13-18(14(2)21(3)20-13)16-5-4-9-22(16)11-17(23)19-8-6-15-7-10-24-12-15/h7,10,12,16H,4-6,8-9,11H2,1-3H3,(H,19,23)
InChIKeyBDAQMHGDJADWIL-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.59
Rot. Bonds6

About N-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

N-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (PubChem CID 56780721) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is N-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
PubChem CID56780721
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCc1nn(C)c(C)c1C1CCCN1CC(=O)NCCc1ccsc1
InChIInChI=1S/C18H26N4OS/c1-13-18(14(2)21(3)20-13)16-5-4-9-22(16)11-17(23)19-8-6-15-7-10-24-12-15/h7,10,12,16H,4-6,8-9,11H2,1-3H3,(H,19,23)
InChIKeyBDAQMHGDJADWIL-UHFFFAOYSA-N
XLogP2.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 31533442
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 31646009
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 56781789
N,N-dimethyl-2-({[3-(3-thienyl)propanoyl]amino}methyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide
CID 70764641
N-((1-cyclopentyl-5-(thiophen-2-yl)-1H-pyrazol-3-yl)methyl)acetamide
CID 71797442
5-[2-(1,3,5-Trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 72143529
N-methyl-N-[[1-methyl-5-(thiophen-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]acetamide
CID 97519179
N-[[1-methyl-5-(thiophen-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]acetamide
CID 97519190
N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
CID 798533
N-(2-thienylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 2056736
1-benzyl-N-[2-[(5Z)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 2120449
N-[(1S,4S)-4-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]thiophene-2-carboxamide
CID 40780397

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (CID 56780721) is N-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is Cc1nn(C)c(C)c1C1CCCN1CC(=O)NCCc1ccsc1.
What is the InChIKey of N-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is BDAQMHGDJADWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-13-18(14(2)21(3)20-13)16-5-4-9-22(16)11-17(23)19-8-6-15-7-10-24-12-15/h7,10,12,16H,4-6,8-9,11H2,1-3H3,(H,19,23).
What are the key properties of N-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
N-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 346.50 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-3-ylethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 56780721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).