N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine

C22H35N5 — CID 16677094

About N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine

N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 16677094) has the molecular formula C22H35N5 and a molecular weight of 369.56 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

• Compound Name: N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
• PubChem CID: 16677094
• Molecular Formula: C22H35N5
• Molecular Weight: 369.56 g/mol
• Exact Mass: 369.29
• IUPAC Name: N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine
• SMILES: CCN1CCCC1CN(Cc1ccccn1)Cc1c(C)nn(C(C)C)c1C
• InChI: InChI=1S/C22H35N5/c1-6-26-13-9-11-21(26)15-25(14-20-10-7-8-12-23-20)16-22-18(4)24-27(17(2)3)19(22)5/h7-8,10,12,17,21H,6,9,11,13-16H2,1-5H3
• InChIKey: BBBMHGMCHNMNIY-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 37.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.56
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine?

The IUPAC name of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine (CID 16677094) is N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine.

What is the SMILES notation for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine?

The canonical SMILES for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine is CCN1CCCC1CN(Cc1ccccn1)Cc1c(C)nn(C(C)C)c1C.

What is the InChIKey of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine?

The InChIKey is BBBMHGMCHNMNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5/c1-6-26-13-9-11-21(26)15-25(14-20-10-7-8-12-23-20)16-22-18(4)24-27(17(2)3)19(22)5/h7-8,10,12,17,21H,6,9,11,13-16H2,1-5H3.

What are the key properties of N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine?

N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 369.56 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 16677094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).