4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide

C14H23N3O3 — CID 91783803

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide
SMILESCc1cc(C)n(CCCC(=O)N[C@@H]2COCC[C@H]2O)n1
InChIInChI=1S/C14H23N3O3/c1-10-8-11(2)17(16-10)6-3-4-14(19)15-12-9-20-7-5-13(12)18/h8,12-13,18H,3-7,9H2,1-2H3,(H,15,19)/t12-,13-/m1/s1
InChIKeySRGBZSSBFGTXEL-CHWSQXEVSA-N
MW281.36 g/mol
LogP0.55
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide

4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide (PubChem CID 91783803) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide
PubChem CID91783803
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide
SMILESCc1cc(C)n(CCCC(=O)N[C@@H]2COCC[C@H]2O)n1
InChIInChI=1S/C14H23N3O3/c1-10-8-11(2)17(16-10)6-3-4-14(19)15-12-9-20-7-5-13(12)18/h8,12-13,18H,3-7,9H2,1-2H3,(H,15,19)/t12-,13-/m1/s1
InChIKeySRGBZSSBFGTXEL-CHWSQXEVSA-N
XLogP0.55
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide (CID 91783803) is 4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide is Cc1cc(C)n(CCCC(=O)N[C@@H]2COCC[C@H]2O)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide?
The InChIKey is SRGBZSSBFGTXEL-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10-8-11(2)17(16-10)6-3-4-14(19)15-12-9-20-7-5-13(12)18/h8,12-13,18H,3-7,9H2,1-2H3,(H,15,19)/t12-,13-/m1/s1.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide has a molecular weight of 281.36 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]butanamide is sourced from PubChem (CID 91783803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).