N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide

C11H17N3O3 — CID 91779822

IUPACN-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)N[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C11H17N3O3/c1-8-2-4-12-14(8)6-11(16)13-9-3-5-17-7-10(9)15/h2,4,9-10,15H,3,5-7H2,1H3,(H,13,16)/t9-,10-/m1/s1
InChIKeyUMQWFYVTZDILEC-NXEZZACHSA-N
MW239.27 g/mol
LogP-0.54
Rot. Bonds3

About N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide

N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 91779822) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID91779822
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)N[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C11H17N3O3/c1-8-2-4-12-14(8)6-11(16)13-9-3-5-17-7-10(9)15/h2,4,9-10,15H,3,5-7H2,1H3,(H,13,16)/t9-,10-/m1/s1
InChIKeyUMQWFYVTZDILEC-NXEZZACHSA-N
XLogP-0.54
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide (CID 91779822) is N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide is Cc1ccnn1CC(=O)N[C@@H]1CCOC[C@H]1O.
What is the InChIKey of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is UMQWFYVTZDILEC-NXEZZACHSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-2-4-12-14(8)6-11(16)13-9-3-5-17-7-10(9)15/h2,4,9-10,15H,3,5-7H2,1H3,(H,13,16)/t9-,10-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide?
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 239.27 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 91779822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).