N-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide

C13H19N5OS — CID 79401664

IUPACN-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide
SMILESCCc1nn(C)c2c1[nH]c(=S)n2CCC(=O)NC1CC1
InChIInChI=1S/C13H19N5OS/c1-3-9-11-12(17(2)16-9)18(13(20)15-11)7-6-10(19)14-8-4-5-8/h8H,3-7H2,1-2H3,(H,14,19)(H,15,20)
InChIKeyNOXUPJFRRGSEFG-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.66
Rot. Bonds5

About N-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide

N-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide (PubChem CID 79401664) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide
PubChem CID79401664
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide
SMILESCCc1nn(C)c2c1[nH]c(=S)n2CCC(=O)NC1CC1
InChIInChI=1S/C13H19N5OS/c1-3-9-11-12(17(2)16-9)18(13(20)15-11)7-6-10(19)14-8-4-5-8/h8H,3-7H2,1-2H3,(H,14,19)(H,15,20)
InChIKeyNOXUPJFRRGSEFG-UHFFFAOYSA-N
XLogP1.66
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide (CID 79401664) is N-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide is CCc1nn(C)c2c1[nH]c(=S)n2CCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide?
The InChIKey is NOXUPJFRRGSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-3-9-11-12(17(2)16-9)18(13(20)15-11)7-6-10(19)14-8-4-5-8/h8H,3-7H2,1-2H3,(H,14,19)(H,15,20).
What are the key properties of N-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide?
N-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide has a molecular weight of 293.40 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide is sourced from PubChem (CID 79401664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).