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

C14H21N5OS — CID 79377062

IUPACN-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide
SMILESCCc1nn(C)c2c1[nH]c(=S)n2CCCC(=O)NC1CC1
InChIInChI=1S/C14H21N5OS/c1-3-10-12-13(18(2)17-10)19(14(21)16-12)8-4-5-11(20)15-9-6-7-9/h9H,3-8H2,1-2H3,(H,15,20)(H,16,21)
InChIKeyFDAUSYGGXUQMRR-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.05
Rot. Bonds6

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

N-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide (PubChem CID 79377062) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is N-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide
PubChem CID79377062
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC NameN-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide
SMILESCCc1nn(C)c2c1[nH]c(=S)n2CCCC(=O)NC1CC1
InChIInChI=1S/C14H21N5OS/c1-3-10-12-13(18(2)17-10)19(14(21)16-12)8-4-5-11(20)15-9-6-7-9/h9H,3-8H2,1-2H3,(H,15,20)(H,16,21)
InChIKeyFDAUSYGGXUQMRR-UHFFFAOYSA-N
XLogP2.05
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)propanamide
CID 79401664
6-[3-(diethylamino)propyl]-3-ethyl-1-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79301933
3-ethyl-1-methyl-6-(2-methylsulfanylethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79299971
N-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide
CID 81138217
3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide
CID 79378566
3-ethyl-6-[(1-ethylpyrrolidin-2-yl)methyl]-1-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79302070
N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide
CID 115948702
3-ethyl-6-(2-ethylhexyl)-1-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 107816899
6-[[1-(dimethylamino)cyclobutyl]methyl]-3-ethyl-1-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 105419281
2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylacetamide
CID 79299729
N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide
CID 81138143
6-tert-butyl-3-ethyl-1-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79302003

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide?
The IUPAC name of N-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide (CID 79377062) is N-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide?
The canonical SMILES for N-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide is CCc1nn(C)c2c1[nH]c(=S)n2CCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide?
The InChIKey is FDAUSYGGXUQMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-3-10-12-13(18(2)17-10)19(14(21)16-12)8-4-5-11(20)15-9-6-7-9/h9H,3-8H2,1-2H3,(H,15,20)(H,16,21).
What are the key properties of N-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide?
N-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide has a molecular weight of 307.42 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3-ethyl-1-methyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanamide is sourced from PubChem (CID 79377062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).