4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide

C15H24N4O3 — CID 56808466

IUPAC4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC1(C(N)=O)CCOCC1
InChIInChI=1S/C15H24N4O3/c1-10-12(11(2)19(3)18-10)8-13(20)17-9-15(14(16)21)4-6-22-7-5-15/h4-9H2,1-3H3,(H2,16,21)(H,17,20)
InChIKeyUOVPZSHHJRUYHJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.02
Rot. Bonds5

About 4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide

4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide (PubChem CID 56808466) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide
PubChem CID56808466
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC1(C(N)=O)CCOCC1
InChIInChI=1S/C15H24N4O3/c1-10-12(11(2)19(3)18-10)8-13(20)17-9-15(14(16)21)4-6-22-7-5-15/h4-9H2,1-3H3,(H2,16,21)(H,17,20)
InChIKeyUOVPZSHHJRUYHJ-UHFFFAOYSA-N
XLogP-0.02
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide?
The IUPAC name of 4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide (CID 56808466) is 4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide is Cc1nn(C)c(C)c1CC(=O)NCC1(C(N)=O)CCOCC1.
What is the InChIKey of 4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide?
The InChIKey is UOVPZSHHJRUYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10-12(11(2)19(3)18-10)8-13(20)17-9-15(14(16)21)4-6-22-7-5-15/h4-9H2,1-3H3,(H2,16,21)(H,17,20).
What are the key properties of 4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide?
4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide is sourced from PubChem (CID 56808466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).