3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]propanamide

C15H24N4O3 — CID 70767331

IUPAC3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]propanamide
SMILESCC(=O)c1c(C)nn(CCC(=O)N[C@@H]2CCNC[C@H]2O)c1C
InChIInChI=1S/C15H24N4O3/c1-9-15(11(3)20)10(2)19(18-9)7-5-14(22)17-12-4-6-16-8-13(12)21/h12-13,16,21H,4-8H2,1-3H3,(H,17,22)/t12-,13-/m1/s1
InChIKeyCPJARSSGRCZOIH-CHWSQXEVSA-N
MW308.38 g/mol
LogP-0.07
Rot. Bonds5

About 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]propanamide

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]propanamide (PubChem CID 70767331) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]propanamide
PubChem CID70767331
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]propanamide
SMILESCC(=O)c1c(C)nn(CCC(=O)N[C@@H]2CCNC[C@H]2O)c1C
InChIInChI=1S/C15H24N4O3/c1-9-15(11(3)20)10(2)19(18-9)7-5-14(22)17-12-4-6-16-8-13(12)21/h12-13,16,21H,4-8H2,1-3H3,(H,17,22)/t12-,13-/m1/s1
InChIKeyCPJARSSGRCZOIH-CHWSQXEVSA-N
XLogP-0.07
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]propanamide?
The IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]propanamide (CID 70767331) is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]propanamide.
What is the SMILES notation for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]propanamide?
The canonical SMILES for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]propanamide is CC(=O)c1c(C)nn(CCC(=O)N[C@@H]2CCNC[C@H]2O)c1C.
What is the InChIKey of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]propanamide?
The InChIKey is CPJARSSGRCZOIH-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-9-15(11(3)20)10(2)19(18-9)7-5-14(22)17-12-4-6-16-8-13(12)21/h12-13,16,21H,4-8H2,1-3H3,(H,17,22)/t12-,13-/m1/s1.
What are the key properties of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]propanamide?
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]propanamide has a molecular weight of 308.38 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]propanamide is sourced from PubChem (CID 70767331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).