3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide

C12H20N4O2S — CID 62038180

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
SMILESCc1[nH]ncc1CCCNC(=O)CCSCC(N)=O
InChIInChI=1S/C12H20N4O2S/c1-9-10(7-15-16-9)3-2-5-14-12(18)4-6-19-8-11(13)17/h7H,2-6,8H2,1H3,(H2,13,17)(H,14,18)(H,15,16)
InChIKeyGAGZMYWOZSYUBV-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.38
Rot. Bonds9

About 3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide (PubChem CID 62038180) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
PubChem CID62038180
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
SMILESCc1[nH]ncc1CCCNC(=O)CCSCC(N)=O
InChIInChI=1S/C12H20N4O2S/c1-9-10(7-15-16-9)3-2-5-14-12(18)4-6-19-8-11(13)17/h7H,2-6,8H2,1H3,(H2,13,17)(H,14,18)(H,15,16)
InChIKeyGAGZMYWOZSYUBV-UHFFFAOYSA-N
XLogP0.38
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(tert-butylamino)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide
CID 62039836
2-cyclopentyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62037988
2-(3,5-dimethylpyrazol-1-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62040075
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-piperidin-2-ylpropanamide
CID 62211661
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
2-[2-(aminomethyl)phenyl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 81312582
2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62040874
3-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 62040744
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-piperidin-3-ylpropanamide
CID 62040266
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
CID 62038805
N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 83617756
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 55119507

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide (CID 62038180) is 3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide is Cc1[nH]ncc1CCCNC(=O)CCSCC(N)=O.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
The InChIKey is GAGZMYWOZSYUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9-10(7-15-16-9)3-2-5-14-12(18)4-6-19-8-11(13)17/h7H,2-6,8H2,1H3,(H2,13,17)(H,14,18)(H,15,16).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide has a molecular weight of 284.39 g/mol, XLogP of 0.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propanamide is sourced from PubChem (CID 62038180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).