2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide

C13H19N5O3S — CID 56686271

IUPAC2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESCc1nn(C)c2cn(C(C)C(=O)NC3CCS(=O)(=O)C3)nc12
InChIInChI=1S/C13H19N5O3S/c1-8-12-11(17(3)15-8)6-18(16-12)9(2)13(19)14-10-4-5-22(20,21)7-10/h6,9-10H,4-5,7H2,1-3H3,(H,14,19)
InChIKeyNEPSTWUJQDONGW-UHFFFAOYSA-N
MW325.39 g/mol
LogP-0.06
Rot. Bonds3

About 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide

2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide (PubChem CID 56686271) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
PubChem CID56686271
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC Name2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESCc1nn(C)c2cn(C(C)C(=O)NC3CCS(=O)(=O)C3)nc12
InChIInChI=1S/C13H19N5O3S/c1-8-12-11(17(3)15-8)6-18(16-12)9(2)13(19)14-10-4-5-22(20,21)7-10/h6,9-10H,4-5,7H2,1-3H3,(H,14,19)
InChIKeyNEPSTWUJQDONGW-UHFFFAOYSA-N
XLogP-0.06
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 56686272
N-(1,1-dioxothiolan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 56725382
3-(4-chloropyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-2-methylpropanamide
CID 56725947
2-(4-bromo-3-methylpyrazol-1-yl)-N-cyclopropylpropanamide
CID 19533335
N-[(3R)-1,1-dioxothiolan-3-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 94550055
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 9378540
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)propanamide
CID 78972072
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 94881457
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 97264964
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8735059
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8735062
[(2S)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 8578414

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide (CID 56686271) is 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide is Cc1nn(C)c2cn(C(C)C(=O)NC3CCS(=O)(=O)C3)nc12.
What is the InChIKey of 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is NEPSTWUJQDONGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-8-12-11(17(3)15-8)6-18(16-12)9(2)13(19)14-10-4-5-22(20,21)7-10/h6,9-10H,4-5,7H2,1-3H3,(H,14,19).
What are the key properties of 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide?
2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 325.39 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 56686271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).