3-(3-methoxyphenyl)-N-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-5-carboxamide

C21H24N4O2 — CID 97115651

About 3-(3-methoxyphenyl)-N-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-5-carboxamide

3-(3-methoxyphenyl)-N-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 97115651) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(3-methoxyphenyl)-N-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-5-carboxamide
• PubChem CID: 97115651
• Molecular Formula: C21H24N4O2
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.19
• IUPAC Name: 3-(3-methoxyphenyl)-N-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-5-carboxamide
• SMILES: COc1cccc(-c2cc(C(=O)N(C)[C@H](C)Cc3ncccc3C)[nH]n2)c1
• InChI: InChI=1S/C21H24N4O2/c1-14-7-6-10-22-18(14)11-15(2)25(3)21(26)20-13-19(23-24-20)16-8-5-9-17(12-16)27-4/h5-10,12-13,15H,11H2,1-4H3,(H,23,24)/t15-/m1/s1
• InChIKey: ZTPHJCLYEDFXOB-OAHLLOKOSA-N
• XLogP: 3.49
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-(3-methoxyphenyl)-N-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-5-carboxamide (CID 97115651) is 3-(3-methoxyphenyl)-N-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-5-carboxamide.

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

The canonical SMILES for 3-(3-methoxyphenyl)-N-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)N(C)[C@H](C)Cc3ncccc3C)[nH]n2)c1.

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

The InChIKey is ZTPHJCLYEDFXOB-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-7-6-10-22-18(14)11-15(2)25(3)21(26)20-13-19(23-24-20)16-8-5-9-17(12-16)27-4/h5-10,12-13,15H,11H2,1-4H3,(H,23,24)/t15-/m1/s1.

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

3-(3-methoxyphenyl)-N-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methoxyphenyl)-N-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 97115651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).