3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide

C18H24N4O2 — CID 70753942

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)N[C@@H]3CCNC[C@H]3O)c2)n1
InChIInChI=1S/C18H24N4O2/c1-12-8-13(2)22(21-12)11-14-4-3-5-15(9-14)18(24)20-16-6-7-19-10-17(16)23/h3-5,8-9,16-17,19,23H,6-7,10-11H2,1-2H3,(H,20,24)/t16-,17-/m1/s1
InChIKeyYFGPSRDLAXMJKM-IAGOWNOFSA-N
MW328.42 g/mol
LogP1.00
Rot. Bonds4

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

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide (PubChem CID 70753942) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide
PubChem CID70753942
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)N[C@@H]3CCNC[C@H]3O)c2)n1
InChIInChI=1S/C18H24N4O2/c1-12-8-13(2)22(21-12)11-14-4-3-5-15(9-14)18(24)20-16-6-7-19-10-17(16)23/h3-5,8-9,16-17,19,23H,6-7,10-11H2,1-2H3,(H,20,24)/t16-,17-/m1/s1
InChIKeyYFGPSRDLAXMJKM-IAGOWNOFSA-N
XLogP1.00
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide (CID 70753942) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide is Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H]3CCNC[C@H]3O)c2)n1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide?
The InChIKey is YFGPSRDLAXMJKM-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-8-13(2)22(21-12)11-14-4-3-5-15(9-14)18(24)20-16-6-7-19-10-17(16)23/h3-5,8-9,16-17,19,23H,6-7,10-11H2,1-2H3,(H,20,24)/t16-,17-/m1/s1.
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide has a molecular weight of 328.42 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide is sourced from PubChem (CID 70753942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).