N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide

C14H20N4O4S — CID 167915980

IUPACN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide
SMILESCS(=O)(=O)CC1CCN(C(=O)C(=O)Nc2cc3n(n2)CCC3)C1
InChIInChI=1S/C14H20N4O4S/c1-23(21,22)9-10-4-6-17(8-10)14(20)13(19)15-12-7-11-3-2-5-18(11)16-12/h7,10H,2-6,8-9H2,1H3,(H,15,16,19)
InChIKeyRMGNHFCVROGRJO-UHFFFAOYSA-N
MW340.41 g/mol
LogP-0.34
Rot. Bonds3

About N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide

N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide (PubChem CID 167915980) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide
PubChem CID167915980
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC NameN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide
SMILESCS(=O)(=O)CC1CCN(C(=O)C(=O)Nc2cc3n(n2)CCC3)C1
InChIInChI=1S/C14H20N4O4S/c1-23(21,22)9-10-4-6-17(8-10)14(20)13(19)15-12-7-11-3-2-5-18(11)16-12/h7,10H,2-6,8-9H2,1H3,(H,15,16,19)
InChIKeyRMGNHFCVROGRJO-UHFFFAOYSA-N
XLogP-0.34
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)carbamate
CID 122650777
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-1-ethoxycyclopentane-1-carboxamide
CID 146105900
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(methylsulfonylmethyl)pyrrolidine-1-carboxamide
CID 167840474
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 126828401
N-cyclopropyl-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 146083111
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide
CID 146105922
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)urea
CID 167758562
1-[(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 167910049
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 111798574
1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
CID 166280824
(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 97271544
1-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
CID 131960556

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide (CID 167915980) is N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide is CS(=O)(=O)CC1CCN(C(=O)C(=O)Nc2cc3n(n2)CCC3)C1.
What is the InChIKey of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide?
The InChIKey is RMGNHFCVROGRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-23(21,22)9-10-4-6-17(8-10)14(20)13(19)15-12-7-11-3-2-5-18(11)16-12/h7,10H,2-6,8-9H2,1H3,(H,15,16,19).
What are the key properties of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide?
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide has a molecular weight of 340.41 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[3-(methylsulfonylmethyl)pyrrolidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 167915980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).