N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide

C25H28N4O2 — CID 42471156

IUPACN-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESCN(Cc1ccn[nH]1)C(=O)CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1
InChIInChI=1S/C25H28N4O2/c1-29(18-22-13-16-26-28-22)24(31)12-15-25(14-11-23(30)27-25)17-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-10,13,16H,11-12,14-15,17-18H2,1H3,(H,26,28)(H,27,30)/t25-/m0/s1
InChIKeyASBLVQIFNHKBOG-VWLOTQADSA-N
MW416.53 g/mol
LogP3.71
Rot. Bonds8

About N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide

N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide (PubChem CID 42471156) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide
PubChem CID42471156
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESCN(Cc1ccn[nH]1)C(=O)CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1
InChIInChI=1S/C25H28N4O2/c1-29(18-22-13-16-26-28-22)24(31)12-15-25(14-11-23(30)27-25)17-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-10,13,16H,11-12,14-15,17-18H2,1H3,(H,26,28)(H,27,30)/t25-/m0/s1
InChIKeyASBLVQIFNHKBOG-VWLOTQADSA-N
XLogP3.71
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide (CID 42471156) is N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide is CN(Cc1ccn[nH]1)C(=O)CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1.
What is the InChIKey of N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide?
The InChIKey is ASBLVQIFNHKBOG-VWLOTQADSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-29(18-22-13-16-26-28-22)24(31)12-15-25(14-11-23(30)27-25)17-19-7-9-21(10-8-19)20-5-3-2-4-6-20/h2-10,13,16H,11-12,14-15,17-18H2,1H3,(H,26,28)(H,27,30)/t25-/m0/s1.
What are the key properties of N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide?
N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide has a molecular weight of 416.53 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2S)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 42471156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).