3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide

C18H25N5O — CID 128968305

About 3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide

3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 128968305) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
• PubChem CID: 128968305
• Molecular Formula: C18H25N5O
• Molecular Weight: 327.43 g/mol
• Exact Mass: 327.21
• IUPAC Name: 3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
• SMILES: CCc1nn(C)cc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1
• InChI: InChI=1S/C18H25N5O/c1-4-16-15(12-23(3)21-16)18(24)20-11-14-7-9-22(2)17(14)13-6-5-8-19-10-13/h5-6,8,10,12,14,17H,4,7,9,11H2,1-3H3,(H,20,24)/t14-,17-/m0/s1
• InChIKey: NRNCFZOHGGNEOX-YOEHRIQHSA-N
• XLogP: 1.80
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.43
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?

The IUPAC name of 3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide (CID 128968305) is 3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide.

What is the SMILES notation for 3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?

The canonical SMILES for 3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)NC[C@@H]1CCN(C)[C@H]1c1cccnc1.

What is the InChIKey of 3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?

The InChIKey is NRNCFZOHGGNEOX-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-16-15(12-23(3)21-16)18(24)20-11-14-7-9-22(2)17(14)13-6-5-8-19-10-13/h5-6,8,10,12,14,17H,4,7,9,11H2,1-3H3,(H,20,24)/t14-,17-/m0/s1.

What are the key properties of 3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?

3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 128968305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).