3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide

C22H24N4O2 — CID 125159408

About 3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide

3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide (PubChem CID 125159408) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide
• PubChem CID: 125159408
• Molecular Formula: C22H24N4O2
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.19
• IUPAC Name: 3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide
• SMILES: COC[C@@H](c1ccccn1)N(C)C(=O)c1cccc(-c2cn[nH]c2C2CC2)c1
• InChI: InChI=1S/C22H24N4O2/c1-26(20(14-28-2)19-8-3-4-11-23-19)22(27)17-7-5-6-16(12-17)18-13-24-25-21(18)15-9-10-15/h3-8,11-13,15,20H,9-10,14H2,1-2H3,(H,24,25)/t20-/m0/s1
• InChIKey: OCNCLUMBTRNFKN-FQEVSTJZSA-N
• XLogP: 3.81
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide?

The IUPAC name of 3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide (CID 125159408) is 3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide.

What is the SMILES notation for 3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide?

The canonical SMILES for 3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide is COC[C@@H](c1ccccn1)N(C)C(=O)c1cccc(-c2cn[nH]c2C2CC2)c1.

What is the InChIKey of 3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide?

The InChIKey is OCNCLUMBTRNFKN-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-26(20(14-28-2)19-8-3-4-11-23-19)22(27)17-7-5-6-16(12-17)18-13-24-25-21(18)15-9-10-15/h3-8,11-13,15,20H,9-10,14H2,1-2H3,(H,24,25)/t20-/m0/s1.

What are the key properties of 3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide?

3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide has a molecular weight of 376.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-cyclopropyl-1H-pyrazol-4-yl)-N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N-methylbenzamide is sourced from PubChem (CID 125159408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).