3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

C14H19N7OS — CID 91960136

IUPAC3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)CCn2ncc3c2c(C)nn3C)s1
InChIInChI=1S/C14H19N7OS/c1-4-5-12-17-18-14(23-12)16-11(22)6-7-21-13-9(2)19-20(3)10(13)8-15-21/h8H,4-7H2,1-3H3,(H,16,18,22)
InChIKeyDUXSTBSCVIJFMJ-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.91
Rot. Bonds6

About 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 91960136) has the molecular formula C14H19N7OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID91960136
Molecular FormulaC14H19N7OS
Molecular Weight333.42 g/mol
Exact Mass333.14
IUPAC Name3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)CCn2ncc3c2c(C)nn3C)s1
InChIInChI=1S/C14H19N7OS/c1-4-5-12-17-18-14(23-12)16-11(22)6-7-21-13-9(2)19-20(3)10(13)8-15-21/h8H,4-7H2,1-3H3,(H,16,18,22)
InChIKeyDUXSTBSCVIJFMJ-UHFFFAOYSA-N
XLogP1.91
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
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CID 2197904
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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (CID 91960136) is 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is CCCc1nnc(NC(=O)CCn2ncc3c2c(C)nn3C)s1.
What is the InChIKey of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is DUXSTBSCVIJFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7OS/c1-4-5-12-17-18-14(23-12)16-11(22)6-7-21-13-9(2)19-20(3)10(13)8-15-21/h8H,4-7H2,1-3H3,(H,16,18,22).
What are the key properties of 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 333.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 91960136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).