N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide

C17H25N7O — CID 128984974

About N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide

N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide (PubChem CID 128984974) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide
• PubChem CID: 128984974
• Molecular Formula: C17H25N7O
• Molecular Weight: 343.44 g/mol
• Exact Mass: 343.21
• IUPAC Name: N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide
• SMILES: Cn1nncc1C(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C
• InChI: InChI=1S/C17H25N7O/c1-22-14(7-8-20-22)16-12(4-3-9-24(16)13-5-6-13)10-18-17(25)15-11-19-21-23(15)2/h7-8,11-13,16H,3-6,9-10H2,1-2H3,(H,18,25)/t12-,16+/m0/s1
• InChIKey: UIOJCGODLBVANO-BLLLJJGKSA-N
• XLogP: 0.89
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.44
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide?

The IUPAC name of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide (CID 128984974) is N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide.

What is the SMILES notation for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide?

The canonical SMILES for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide is Cn1nncc1C(=O)NC[C@@H]1CCCN(C2CC2)[C@H]1c1ccnn1C.

What is the InChIKey of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide?

The InChIKey is UIOJCGODLBVANO-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H25N7O/c1-22-14(7-8-20-22)16-12(4-3-9-24(16)13-5-6-13)10-18-17(25)15-11-19-21-23(15)2/h7-8,11-13,16H,3-6,9-10H2,1-2H3,(H,18,25)/t12-,16+/m0/s1.

What are the key properties of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide?

N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide has a molecular weight of 343.44 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-3-methyltriazole-4-carboxamide is sourced from PubChem (CID 128984974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).