1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide

C21H31N5O — CID 97133366

About 1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide

1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide (PubChem CID 97133366) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide
• PubChem CID: 97133366
• Molecular Formula: C21H31N5O
• Molecular Weight: 369.51 g/mol
• Exact Mass: 369.25
• IUPAC Name: 1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide
• SMILES: CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CCCN(Cc2cccnc2)C1
• InChI: InChI=1S/C21H31N5O/c1-4-26-20(12-19(24-26)11-16(2)3)21(27)23-18-8-6-10-25(15-18)14-17-7-5-9-22-13-17/h5,7,9,12-13,16,18H,4,6,8,10-11,14-15H2,1-3H3,(H,23,27)/t18-/m0/s1
• InChIKey: WHFWQDSXJZBEGI-SFHVURJKSA-N
• XLogP: 2.89
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.51
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide?

The IUPAC name of 1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide (CID 97133366) is 1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide.

What is the SMILES notation for 1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide?

The canonical SMILES for 1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)N[C@H]1CCCN(Cc2cccnc2)C1.

What is the InChIKey of 1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide?

The InChIKey is WHFWQDSXJZBEGI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H31N5O/c1-4-26-20(12-19(24-26)11-16(2)3)21(27)23-18-8-6-10-25(15-18)14-17-7-5-9-22-13-17/h5,7,9,12-13,16,18H,4,6,8,10-11,14-15H2,1-3H3,(H,23,27)/t18-/m0/s1.

What are the key properties of 1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide?

1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 97133366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).