3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide

C14H18N6O2 — CID 91960578

IUPAC3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide
SMILESCc1nn(C(C)C)c2cnn(CCC(=O)Nc3ccon3)c12
InChIInChI=1S/C14H18N6O2/c1-9(2)20-11-8-15-19(14(11)10(3)17-20)6-4-13(21)16-12-5-7-22-18-12/h5,7-9H,4,6H2,1-3H3,(H,16,18,21)
InChIKeyVHLPDWZYJMCLPG-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.14
Rot. Bonds5

About 3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide

3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide (PubChem CID 91960578) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide
PubChem CID91960578
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide
SMILESCc1nn(C(C)C)c2cnn(CCC(=O)Nc3ccon3)c12
InChIInChI=1S/C14H18N6O2/c1-9(2)20-11-8-15-19(14(11)10(3)17-20)6-4-13(21)16-12-5-7-22-18-12/h5,7-9H,4,6H2,1-3H3,(H,16,18,21)
InChIKeyVHLPDWZYJMCLPG-UHFFFAOYSA-N
XLogP2.14
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide (CID 91960578) is 3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide is Cc1nn(C(C)C)c2cnn(CCC(=O)Nc3ccon3)c12.
What is the InChIKey of 3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide?
The InChIKey is VHLPDWZYJMCLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-9(2)20-11-8-15-19(14(11)10(3)17-20)6-4-13(21)16-12-5-7-22-18-12/h5,7-9H,4,6H2,1-3H3,(H,16,18,21).
What are the key properties of 3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide?
3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide has a molecular weight of 302.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 91960578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).