N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

C19H27N5O — CID 46954616

About N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 46954616) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
• PubChem CID: 46954616
• Molecular Formula: C19H27N5O
• Molecular Weight: 341.46 g/mol
• Exact Mass: 341.22
• IUPAC Name: N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
• SMILES: CC1CCCN(CC(C)(C)NC(=O)c2cc(-c3ccccn3)n[nH]2)C1
• InChI: InChI=1S/C19H27N5O/c1-14-7-6-10-24(12-14)13-19(2,3)21-18(25)17-11-16(22-23-17)15-8-4-5-9-20-15/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3,(H,21,25)(H,22,23)
• InChIKey: RAAIETZVHMINKS-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.46
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 46954616) is N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is CC1CCCN(CC(C)(C)NC(=O)c2cc(-c3ccccn3)n[nH]2)C1.

What is the InChIKey of N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?

The InChIKey is RAAIETZVHMINKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14-7-6-10-24(12-14)13-19(2,3)21-18(25)17-11-16(22-23-17)15-8-4-5-9-20-15/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3,(H,21,25)(H,22,23).

What are the key properties of N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?

N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46954616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).