(3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide

C20H26N4O — CID 99701920

About (3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide

(3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide (PubChem CID 99701920) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide
• PubChem CID: 99701920
• Molecular Formula: C20H26N4O
• Molecular Weight: 338.45 g/mol
• Exact Mass: 338.21
• IUPAC Name: (3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide
• SMILES: Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)[C@H]1CCCNC1
• InChI: InChI=1S/C20H26N4O/c1-14-12-22-24(18-10-4-7-15-6-2-3-9-17(15)18)19(14)23-20(25)16-8-5-11-21-13-16/h2-3,6,9,12,16,18,21H,4-5,7-8,10-11,13H2,1H3,(H,23,25)/t16-,18-/m0/s1
• InChIKey: ULPIBIACXUYZJX-WMZOPIPTSA-N
• XLogP: 3.06
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.45
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide (CID 99701920) is (3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide is Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)[C@H]1CCCNC1.

What is the InChIKey of (3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide?

The InChIKey is ULPIBIACXUYZJX-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-12-22-24(18-10-4-7-15-6-2-3-9-17(15)18)19(14)23-20(25)16-8-5-11-21-13-16/h2-3,6,9,12,16,18,21H,4-5,7-8,10-11,13H2,1H3,(H,23,25)/t16-,18-/m0/s1.

What are the key properties of (3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide?

(3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 99701920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).