5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide

C19H28N6O — CID 128984638

About 5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 128984638) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
• PubChem CID: 128984638
• Molecular Formula: C19H28N6O
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.23
• IUPAC Name: 5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
• SMILES: CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)c1cc(C2CC2)[nH]n1
• InChI: InChI=1S/C19H28N6O/c1-23-10-4-5-14(18(23)17-8-9-20-25(17)3)12-24(2)19(26)16-11-15(21-22-16)13-6-7-13/h8-9,11,13-14,18H,4-7,10,12H2,1-3H3,(H,21,22)/t14-,18+/m0/s1
• InChIKey: NYJATJHLZXEAPJ-KBXCAEBGSA-N
• XLogP: 2.18
• TPSA: 70.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?

The IUPAC name of 5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide (CID 128984638) is 5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide is CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)C(=O)c1cc(C2CC2)[nH]n1.

What is the InChIKey of 5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?

The InChIKey is NYJATJHLZXEAPJ-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H28N6O/c1-23-10-4-5-14(18(23)17-8-9-20-25(17)3)12-24(2)19(26)16-11-15(21-22-16)13-6-7-13/h8-9,11,13-14,18H,4-7,10,12H2,1-3H3,(H,21,22)/t14-,18+/m0/s1.

What are the key properties of 5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?

5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 128984638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).