(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide

C24H31N5O2 — CID 117077630

About (2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide

(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide (PubChem CID 117077630) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide
• PubChem CID: 117077630
• Molecular Formula: C24H31N5O2
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.25
• IUPAC Name: (2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide
• SMILES: COc1cccc(CN(CCN(C)C)C(=O)[C@H](N)Cc2ccc(-c3cn[nH]c3)cc2)c1
• InChI: InChI=1S/C24H31N5O2/c1-28(2)11-12-29(17-19-5-4-6-22(13-19)31-3)24(30)23(25)14-18-7-9-20(10-8-18)21-15-26-27-16-21/h4-10,13,15-16,23H,11-12,14,17,25H2,1-3H3,(H,26,27)/t23-/m1/s1
• InChIKey: XBIAZWDEXRACRF-HSZRJFAPSA-N
• XLogP: 2.55
• TPSA: 87.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide?

The IUPAC name of (2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide (CID 117077630) is (2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide.

What is the SMILES notation for (2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide?

The canonical SMILES for (2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide is COc1cccc(CN(CCN(C)C)C(=O)[C@H](N)Cc2ccc(-c3cn[nH]c3)cc2)c1.

What is the InChIKey of (2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide?

The InChIKey is XBIAZWDEXRACRF-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-28(2)11-12-29(17-19-5-4-6-22(13-19)31-3)24(30)23(25)14-18-7-9-20(10-8-18)21-15-26-27-16-21/h4-10,13,15-16,23H,11-12,14,17,25H2,1-3H3,(H,26,27)/t23-/m1/s1.

What are the key properties of (2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide?

(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide has a molecular weight of 421.55 g/mol, XLogP of 2.55, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 117077630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).